3,4-Diamino-5-oxo-4,5-dihydro-1,2,4-triazine-6-carbohydrazide
O=C1N(/C(=N\N=C1\C(=O)NN)N)N CopyCopied
InChI=1S/C4H7N7O2/c5-4-10-9-1(2(12)8-6)3(13)11(4)7/h6-7H2,(H2,5,10)(H,8,12) CopyCopied
XGWAFOGYTGRKDU-UHFFFAOYSA-N CopyCopied
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -2.67 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 456.49 (Adapted Stein & Brown method) Melting Pt (deg C): 192.27 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.95E-009 (Modified Grain method) Subcooled liquid VP: 3.39E-007 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.845e+005 log Kow used: -2.67 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.64E-021 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.992E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -2.67 (KowWin est) Log Kaw used: -18.637 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.967 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6594 Biowin2 (Non-Linear Model) : 0.5938 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7900 (weeks ) Biowin4 (Primary Survey Model) : 3.5806 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2116 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8361 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 4.52E-005 Pa (3.39E-007 mm Hg) Log Koa (Koawin est ): 15.967 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0664 Octanol/air (Koa) model: 2.28E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.706 Mackay model : 0.842 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 41.5000 E-12 cm3/molecule-sec Half-Life = 0.258 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.093 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.774 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 96.09 Log Koc: 1.983 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -2.67 (estimated) Volatilization from Water: Henry LC: 5.64E-021 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.413E+017 hours (5.886E+015 days) Half-Life from Model Lake : 1.541E+018 hours (6.421E+016 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 5.79e-013 6.18 1000 Water 39 360 1000 Soil 60.9 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 579 hr
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