(4-aminophenyl)-(3-phenyltriazol-4-yl)methanone

C15H12N4O — CID 114691795

IUPAC(4-aminophenyl)-(3-phenyltriazol-4-yl)methanone
SMILESNc1ccc(C(=O)c2cnnn2-c2ccccc2)cc1
InChIInChI=1S/C15H12N4O/c16-12-8-6-11(7-9-12)15(20)14-10-17-18-19(14)13-4-2-1-3-5-13/h1-10H,16H2
InChIKeyKPZYQAOECICVGE-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.08
Rot. Bonds3

About (4-aminophenyl)-(3-phenyltriazol-4-yl)methanone

(4-aminophenyl)-(3-phenyltriazol-4-yl)methanone (PubChem CID 114691795) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is (4-aminophenyl)-(3-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(3-phenyltriazol-4-yl)methanone
PubChem CID114691795
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name(4-aminophenyl)-(3-phenyltriazol-4-yl)methanone
SMILESNc1ccc(C(=O)c2cnnn2-c2ccccc2)cc1
InChIInChI=1S/C15H12N4O/c16-12-8-6-11(7-9-12)15(20)14-10-17-18-19(14)13-4-2-1-3-5-13/h1-10H,16H2
InChIKeyKPZYQAOECICVGE-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

phenyl-(3-phenyltriazol-4-yl)methanone
CID 23266578
(3-amino-4-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691816
(3-amino-4-chlorophenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691830
(3,5-dibromophenyl)-(3-phenyltriazol-4-yl)methanone
CID 107977415
(2-bromophenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685691
(3-fluoro-5-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114686118
(5-bromothiophen-3-yl)-(3-phenyltriazol-4-yl)methanone
CID 105131212
(5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanone
CID 115806451
(3-phenyltriazol-4-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 105131202
(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685545
4-(3-phenyltriazol-4-yl)aniline
CID 53485501
(1-aminocyclopropyl)-(3-phenyltriazol-4-yl)methanone
CID 114692058

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(3-phenyltriazol-4-yl)methanone?
The IUPAC name of (4-aminophenyl)-(3-phenyltriazol-4-yl)methanone (CID 114691795) is (4-aminophenyl)-(3-phenyltriazol-4-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(3-phenyltriazol-4-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(3-phenyltriazol-4-yl)methanone is Nc1ccc(C(=O)c2cnnn2-c2ccccc2)cc1.
What is the InChIKey of (4-aminophenyl)-(3-phenyltriazol-4-yl)methanone?
The InChIKey is KPZYQAOECICVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c16-12-8-6-11(7-9-12)15(20)14-10-17-18-19(14)13-4-2-1-3-5-13/h1-10H,16H2.
What are the key properties of (4-aminophenyl)-(3-phenyltriazol-4-yl)methanone?
(4-aminophenyl)-(3-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 (4-aminophenyl)-(3-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 114691795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).