2-phenyltriazole-4,5-diamine

C8H9N5 — CID 10856000

IUPAC2-phenyltriazole-4,5-diamine
SMILESNc1nn(-c2ccccc2)nc1N
InChIInChI=1S/C8H9N5/c9-7-8(10)12-13(11-7)6-4-2-1-3-5-6/h1-5H,(H2,9,11)(H2,10,12)
InChIKeyMEKVTRJBRWQWTA-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.43
Rot. Bonds1

About 2-phenyltriazole-4,5-diamine

2-phenyltriazole-4,5-diamine (PubChem CID 10856000) has the molecular formula C8H9N5 and a molecular weight of 175.20 g/mol. Its IUPAC name is 2-phenyltriazole-4,5-diamine.

Molecular Properties

Compound Name2-phenyltriazole-4,5-diamine
PubChem CID10856000
Molecular FormulaC8H9N5
Molecular Weight175.20 g/mol
Exact Mass175.09
IUPAC Name2-phenyltriazole-4,5-diamine
SMILESNc1nn(-c2ccccc2)nc1N
InChIInChI=1S/C8H9N5/c9-7-8(10)12-13(11-7)6-4-2-1-3-5-6/h1-5H,(H2,9,11)(H2,10,12)
InChIKeyMEKVTRJBRWQWTA-UHFFFAOYSA-N
XLogP0.43
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-phenyltriazole-4,5-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 2-phenyltriazole-4,5-diamine?
The IUPAC name of 2-phenyltriazole-4,5-diamine (CID 10856000) is 2-phenyltriazole-4,5-diamine.
What is the SMILES notation for 2-phenyltriazole-4,5-diamine?
The canonical SMILES for 2-phenyltriazole-4,5-diamine is Nc1nn(-c2ccccc2)nc1N.
What is the InChIKey of 2-phenyltriazole-4,5-diamine?
The InChIKey is MEKVTRJBRWQWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c9-7-8(10)12-13(11-7)6-4-2-1-3-5-6/h1-5H,(H2,9,11)(H2,10,12).
What are the key properties of 2-phenyltriazole-4,5-diamine?
2-phenyltriazole-4,5-diamine has a molecular weight of 175.20 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyltriazole-4,5-diamine is sourced from PubChem (CID 10856000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).