Chem 4 Amino 4h 124 Triazole Ncc

4-Amino-4H-1,2,4-triazole

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Chemical Name - 4-Amino-4H-1,2,4-triazole
Mol Weight - 84.0818
Smiles - Nn1cnnc1
InChI - FMCUPJKTGNBGEC-UHFFFAOYSA-N
InChIKey - InChI=1S/C2H4N4/c3-6-1-4-5-2-6/h1-2H,3H2

Property Name	Property Value
Mol Name	4-Amino-4H-1,2,4-triazole
Molweight	84.0818
Monoisotopic Mass	84.043596
Clogp	-0.548
Clogs	-2.95
H Acceptors	4
H Donors	1
Total Surface Area	68.5
Relative Psa	0.6435
Polar Surface Area	56.73
Druglikeness	0.096557
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Complexity	0.64864
Fragments	1
Non H Atoms	6
Non Ch Atoms	4
Electronegative Atoms	4
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	5
Sp3 Atoms	1
Symmetric Atoms	2
Aromatic Nitrogens	3
Smiles	Nn1cnnc1
InChIKey	InChI=1S/C2H4N4/c3-6-1-4-5-2-6/h1-2H,3H2
InChI	FMCUPJKTGNBGEC-UHFFFAOYSA-N

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4-Amino-4H-1,2,4-triazole