5-[(E)-2-(3-amino-1H-1,2,4-triazol-5-yl)ethenyl]-1H-1,2,4-triazol-3-amine

Formula:C6H8N8 Mutagenic:none Tumorigenic:none Reproductive Effective:low 5-[(E)-2-(3-amino-1H-1,2,4-triazol-5-yl)ethenyl]-1H-1,2,4-triazol-3-amine is a drug-like molecule.

MolName	5-[(E)-2-(3-amino-1H-1,2,4-triazol-5-yl)ethenyl]-1H-1,2,4-triazol-3-amine
MolecularFormula	C6H8N8
Smiles	Nc1n[nH]c(/C=C/c2nc(N)n[nH]2)n1
InChI	InChI=1S/C6H8N8/c7-5-9-3(11-13-5)1-2-4-10-6(8)14-12-4/h1-2H,(H3,7,9,11,13)(H3,8,10,12,14)
InChIK	BILDYDAMQIMGAE-UHFFFAOYSA-N
TotalMolweight	192.186
Molweight	192.186
MonoisotopicMass	192.087192
CLogP	-1.4302
CLogS	-0.914
H Acceptors	8
H Donors	4
TotalSurfaceArea	150.74
Relative PSA	0.67932
PolarSurfaceArea	135.18
Druglikeness	1.5966
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.71429
Fragments	1
Non HAtoms	14
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Symmetricatoms	7
Aromatic Nitrogens	6
BasicNitrogens	2
StereoCon

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