5-phenyl-1H-1,2,4-triazole

C8H7N3 — CID 18786

IUPAC5-phenyl-1H-1,2,4-triazole
SMILESc1ccc(-c2ncn[nH]2)cc1
InChIInChI=1S/C8H7N3/c1-2-4-7(5-3-1)8-9-6-10-11-8/h1-6H,(H,9,10,11)
InChIKeyNYMLZIFRPNYAHS-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.47
Rot. Bonds1

About 5-phenyl-1H-1,2,4-triazole

5-phenyl-1H-1,2,4-triazole (PubChem CID 18786) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 5-phenyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-phenyl-1H-1,2,4-triazole
PubChem CID18786
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Name5-phenyl-1H-1,2,4-triazole
SMILESc1ccc(-c2ncn[nH]2)cc1
InChIInChI=1S/C8H7N3/c1-2-4-7(5-3-1)8-9-6-10-11-8/h1-6H,(H,9,10,11)
InChIKeyNYMLZIFRPNYAHS-UHFFFAOYSA-N
XLogP1.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-phenyl-1H-1,2,4-triazole 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-phenyl-1H-1,2,4-triazole?
The IUPAC name of 5-phenyl-1H-1,2,4-triazole (CID 18786) is 5-phenyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-phenyl-1H-1,2,4-triazole?
The canonical SMILES for 5-phenyl-1H-1,2,4-triazole is c1ccc(-c2ncn[nH]2)cc1.
What is the InChIKey of 5-phenyl-1H-1,2,4-triazole?
The InChIKey is NYMLZIFRPNYAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3/c1-2-4-7(5-3-1)8-9-6-10-11-8/h1-6H,(H,9,10,11).
What are the key properties of 5-phenyl-1H-1,2,4-triazole?
5-phenyl-1H-1,2,4-triazole has a molecular weight of 145.16 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1H-1,2,4-triazole is sourced from PubChem (CID 18786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).