3-N-(4-methyl-3-nitrosophenyl)-1H-1,2,4-triazole-3,5-diamine

C9H10N6O — CID 129131953

IUPAC3-N-(4-methyl-3-nitrosophenyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCc1ccc(Nc2n[nH]c(N)n2)cc1N=O
InChIInChI=1S/C9H10N6O/c1-5-2-3-6(4-7(5)15-16)11-9-12-8(10)13-14-9/h2-4H,1H3,(H4,10,11,12,13,14)
InChIKeyHDKAZOMEIJUCFZ-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.84
Rot. Bonds3

About 3-N-(4-methyl-3-nitrosophenyl)-1H-1,2,4-triazole-3,5-diamine

3-N-(4-methyl-3-nitrosophenyl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 129131953) has the molecular formula C9H10N6O and a molecular weight of 218.22 g/mol. Its IUPAC name is 3-N-(4-methyl-3-nitrosophenyl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(4-methyl-3-nitrosophenyl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID129131953
Molecular FormulaC9H10N6O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name3-N-(4-methyl-3-nitrosophenyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCc1ccc(Nc2n[nH]c(N)n2)cc1N=O
InChIInChI=1S/C9H10N6O/c1-5-2-3-6(4-7(5)15-16)11-9-12-8(10)13-14-9/h2-4H,1H3,(H4,10,11,12,13,14)
InChIKeyHDKAZOMEIJUCFZ-UHFFFAOYSA-N
XLogP1.84
TPSA109.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-3,5-diamine
CID 100786207
3-N-(4-fluorophenyl)-1H-1,2,4-triazole-3,5-diamine
CID 66490179
3-N-(3,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazole-3,5-diamine
CID 70093872
3-N-(3-tert-butylphenyl)-1H-1,2,4-triazole-3,5-diamine
CID 72715650
methyl 4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dimethylbenzoate
CID 129132060
3-N-(3-bromophenyl)-1H-1,2,4-triazole-3,5-diamine
CID 72715731
3-N-[3-(methylsulfanylamino)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 129131941
3-N-(3,5-dimethyl-4-phenylsulfanylphenyl)-1H-1,2,4-triazole-3,5-diamine
CID 129015982
4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzonitrile
CID 72714702
3-N-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 72714706
4-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzoyl]-5-methyl-1,3-dihydroimidazol-2-one
CID 10590248
3-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 67334334

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-methyl-3-nitrosophenyl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(4-methyl-3-nitrosophenyl)-1H-1,2,4-triazole-3,5-diamine (CID 129131953) is 3-N-(4-methyl-3-nitrosophenyl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(4-methyl-3-nitrosophenyl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(4-methyl-3-nitrosophenyl)-1H-1,2,4-triazole-3,5-diamine is Cc1ccc(Nc2n[nH]c(N)n2)cc1N=O.
What is the InChIKey of 3-N-(4-methyl-3-nitrosophenyl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is HDKAZOMEIJUCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O/c1-5-2-3-6(4-7(5)15-16)11-9-12-8(10)13-14-9/h2-4H,1H3,(H4,10,11,12,13,14).
What are the key properties of 3-N-(4-methyl-3-nitrosophenyl)-1H-1,2,4-triazole-3,5-diamine?
3-N-(4-methyl-3-nitrosophenyl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 218.22 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-methyl-3-nitrosophenyl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 129131953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).