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1,3,5-Triazine-2,4,6-triaminato(2-)

ChemSpider ID: 10771437
Molecular Formula: C₃H₆N₆
Monoisotopic mass: 126.065392 Da
Systematic name

1,3,5-Triazine-2,4,6-triaminato(2-)
SMILES and InChIs

SMILES:

Nc1nc(N)nc(N)n1 Copied

Std. InChI:

InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9) Copied

Std. InChIKey:

JDSHMPZPIAZGSV-UHFFFAOYSA-N Copied

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Properties

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	-1.37	# of Rule of 5 Violations:	1
ACD/LogD (pH 5.5):	-1.67	ACD/LogD (pH 7.4):	-1.38
ACD/BCF (pH 5.5):	1.00	ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 5.5):	2.13	ACD/KOC (pH 7.4):	4.23
#H bond acceptors:	6	#H bond donors:	6
#Freely Rotating Bonds:	0	Polar Surface Area:	116.73 Å²
Index of Refraction:	1.826	Molar Refractivity:	33.235 cm³
Molar Volume:	75.945 cm³	Polarizability:	13.175 10^-24cm³
Surface Tension:	153.268997192383 dyne/cm	Density:	1.661 g/cm³
Flash Point:	325.302 °C	Enthalpy of Vaporization:	83.939 kJ/mol
Boiling Point:	557.541 °C at 760 mmHg	Vapour Pressure:	0 mmHg at 25°C

Click to predict properties on the Chemicalize site

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