5-N,4-diphenyltriazole-1,5-diamine

C14H13N5 — CID 14398037

IUPAC5-N,4-diphenyltriazole-1,5-diamine
SMILESNn1nnc(-c2ccccc2)c1Nc1ccccc1
InChIInChI=1S/C14H13N5/c15-19-14(16-12-9-5-2-6-10-12)13(17-18-19)11-7-3-1-4-8-11/h1-10,16H,15H2
InChIKeyXWWHLKQUPNDTFX-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.40
Rot. Bonds3

About 5-N,4-diphenyltriazole-1,5-diamine

5-N,4-diphenyltriazole-1,5-diamine (PubChem CID 14398037) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-N,4-diphenyltriazole-1,5-diamine.

Molecular Properties

Compound Name5-N,4-diphenyltriazole-1,5-diamine
PubChem CID14398037
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name5-N,4-diphenyltriazole-1,5-diamine
SMILESNn1nnc(-c2ccccc2)c1Nc1ccccc1
InChIInChI=1S/C14H13N5/c15-19-14(16-12-9-5-2-6-10-12)13(17-18-19)11-7-3-1-4-8-11/h1-10,16H,15H2
InChIKeyXWWHLKQUPNDTFX-UHFFFAOYSA-N
XLogP2.40
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N,4-diphenyltriazole-1,5-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 5-N,4-diphenyltriazole-1,5-diamine?
The IUPAC name of 5-N,4-diphenyltriazole-1,5-diamine (CID 14398037) is 5-N,4-diphenyltriazole-1,5-diamine.
What is the SMILES notation for 5-N,4-diphenyltriazole-1,5-diamine?
The canonical SMILES for 5-N,4-diphenyltriazole-1,5-diamine is Nn1nnc(-c2ccccc2)c1Nc1ccccc1.
What is the InChIKey of 5-N,4-diphenyltriazole-1,5-diamine?
The InChIKey is XWWHLKQUPNDTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c15-19-14(16-12-9-5-2-6-10-12)13(17-18-19)11-7-3-1-4-8-11/h1-10,16H,15H2.
What are the key properties of 5-N,4-diphenyltriazole-1,5-diamine?
5-N,4-diphenyltriazole-1,5-diamine has a molecular weight of 251.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,4-diphenyltriazole-1,5-diamine is sourced from PubChem (CID 14398037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).