(2-aminophenyl)-(1-phenyltriazol-4-yl)methanone

C15H12N4O — CID 71681842

IUPAC(2-aminophenyl)-(1-phenyltriazol-4-yl)methanone
SMILESNc1ccccc1C(=O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H12N4O/c16-13-9-5-4-8-12(13)15(20)14-10-19(18-17-14)11-6-2-1-3-7-11/h1-10H,16H2
InChIKeyKOOJVECNAFOIHC-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.08
Rot. Bonds3

About (2-aminophenyl)-(1-phenyltriazol-4-yl)methanone

(2-aminophenyl)-(1-phenyltriazol-4-yl)methanone (PubChem CID 71681842) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is (2-aminophenyl)-(1-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(2-aminophenyl)-(1-phenyltriazol-4-yl)methanone
PubChem CID71681842
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name(2-aminophenyl)-(1-phenyltriazol-4-yl)methanone
SMILESNc1ccccc1C(=O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H12N4O/c16-13-9-5-4-8-12(13)15(20)14-10-19(18-17-14)11-6-2-1-3-7-11/h1-10H,16H2
InChIKeyKOOJVECNAFOIHC-UHFFFAOYSA-N
XLogP2.08
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-(1-phenyltriazol-4-yl)methanone?
The IUPAC name of (2-aminophenyl)-(1-phenyltriazol-4-yl)methanone (CID 71681842) is (2-aminophenyl)-(1-phenyltriazol-4-yl)methanone.
What is the SMILES notation for (2-aminophenyl)-(1-phenyltriazol-4-yl)methanone?
The canonical SMILES for (2-aminophenyl)-(1-phenyltriazol-4-yl)methanone is Nc1ccccc1C(=O)c1cn(-c2ccccc2)nn1.
What is the InChIKey of (2-aminophenyl)-(1-phenyltriazol-4-yl)methanone?
The InChIKey is KOOJVECNAFOIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c16-13-9-5-4-8-12(13)15(20)14-10-19(18-17-14)11-6-2-1-3-7-11/h1-10H,16H2.
What are the key properties of (2-aminophenyl)-(1-phenyltriazol-4-yl)methanone?
(2-aminophenyl)-(1-phenyltriazol-4-yl)methanone has a molecular weight of 264.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-(1-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 71681842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).