3-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine

C12H14N8 — CID 67409536

IUPAC3-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCc1nn(-c2ccccc2)nc1CNc1n[nH]c(N)n1
InChIInChI=1S/C12H14N8/c1-8-10(7-14-12-15-11(13)16-17-12)19-20(18-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H4,13,14,15,16,17)
InChIKeyUGODZWZQCPZXOD-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.89
Rot. Bonds4

About 3-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine

3-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine (PubChem CID 67409536) has the molecular formula C12H14N8 and a molecular weight of 270.30 g/mol. Its IUPAC name is 3-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
PubChem CID67409536
Molecular FormulaC12H14N8
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name3-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCc1nn(-c2ccccc2)nc1CNc1n[nH]c(N)n1
InChIInChI=1S/C12H14N8/c1-8-10(7-14-12-15-11(13)16-17-12)19-20(18-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H4,13,14,15,16,17)
InChIKeyUGODZWZQCPZXOD-UHFFFAOYSA-N
XLogP0.89
TPSA110.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine (CID 67409536) is 3-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine is Cc1nn(-c2ccccc2)nc1CNc1n[nH]c(N)n1.
What is the InChIKey of 3-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is UGODZWZQCPZXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8/c1-8-10(7-14-12-15-11(13)16-17-12)19-20(18-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H4,13,14,15,16,17).
What are the key properties of 3-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
3-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 270.30 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 67409536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).