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

C15H11N3O — CID 23266578

IUPACphenyl-(3-phenyltriazol-4-yl)methanone
SMILESO=C(c1ccccc1)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H11N3O/c19-15(12-7-3-1-4-8-12)14-11-16-17-18(14)13-9-5-2-6-10-13/h1-11H
InChIKeyGYJYFRIKEWVPJK-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.50
Rot. Bonds3

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

phenyl-(3-phenyltriazol-4-yl)methanone (PubChem CID 23266578) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is phenyl-(3-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Namephenyl-(3-phenyltriazol-4-yl)methanone
PubChem CID23266578
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Namephenyl-(3-phenyltriazol-4-yl)methanone
SMILESO=C(c1ccccc1)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H11N3O/c19-15(12-7-3-1-4-8-12)14-11-16-17-18(14)13-9-5-2-6-10-13/h1-11H
InChIKeyGYJYFRIKEWVPJK-UHFFFAOYSA-N
XLogP2.50
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminophenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691795
(3,5-dibromophenyl)-(3-phenyltriazol-4-yl)methanone
CID 107977415
(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685545
(2-bromophenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685691
(3-amino-4-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691816
(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-amino-4-chlorophenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691830
(6-methyl-2-pyridinyl)-(3-phenyltriazol-4-yl)methanone
CID 114685792
(2-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685541

Frequently Asked Questions

What is the IUPAC name of phenyl-(3-phenyltriazol-4-yl)methanone?
The IUPAC name of phenyl-(3-phenyltriazol-4-yl)methanone (CID 23266578) is phenyl-(3-phenyltriazol-4-yl)methanone.
What is the SMILES notation for phenyl-(3-phenyltriazol-4-yl)methanone?
The canonical SMILES for phenyl-(3-phenyltriazol-4-yl)methanone is O=C(c1ccccc1)c1cnnn1-c1ccccc1.
What is the InChIKey of phenyl-(3-phenyltriazol-4-yl)methanone?
The InChIKey is GYJYFRIKEWVPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c19-15(12-7-3-1-4-8-12)14-11-16-17-18(14)13-9-5-2-6-10-13/h1-11H.
What are the key properties of phenyl-(3-phenyltriazol-4-yl)methanone?
phenyl-(3-phenyltriazol-4-yl)methanone has a molecular weight of 249.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 23266578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).