[1-(4-chlorophenyl)triazol-4-yl]-phenylmethanone

C15H10ClN3O — CID 5270614

IUPAC[1-(4-chlorophenyl)triazol-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cn(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C15H10ClN3O/c16-12-6-8-13(9-7-12)19-10-14(17-18-19)15(20)11-4-2-1-3-5-11/h1-10H
InChIKeyUBXOWQXNRHDRAS-UHFFFAOYSA-N
MW283.72 g/mol
LogP3.15
Rot. Bonds3

About [1-(4-chlorophenyl)triazol-4-yl]-phenylmethanone

[1-(4-chlorophenyl)triazol-4-yl]-phenylmethanone (PubChem CID 5270614) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is [1-(4-chlorophenyl)triazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)triazol-4-yl]-phenylmethanone
PubChem CID5270614
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC Name[1-(4-chlorophenyl)triazol-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cn(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C15H10ClN3O/c16-12-6-8-13(9-7-12)19-10-14(17-18-19)15(20)11-4-2-1-3-5-11/h1-10H
InChIKeyUBXOWQXNRHDRAS-UHFFFAOYSA-N
XLogP3.15
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)triazol-4-yl]-phenylmethanone?
The IUPAC name of [1-(4-chlorophenyl)triazol-4-yl]-phenylmethanone (CID 5270614) is [1-(4-chlorophenyl)triazol-4-yl]-phenylmethanone.
What is the SMILES notation for [1-(4-chlorophenyl)triazol-4-yl]-phenylmethanone?
The canonical SMILES for [1-(4-chlorophenyl)triazol-4-yl]-phenylmethanone is O=C(c1ccccc1)c1cn(-c2ccc(Cl)cc2)nn1.
What is the InChIKey of [1-(4-chlorophenyl)triazol-4-yl]-phenylmethanone?
The InChIKey is UBXOWQXNRHDRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O/c16-12-6-8-13(9-7-12)19-10-14(17-18-19)15(20)11-4-2-1-3-5-11/h1-10H.
What are the key properties of [1-(4-chlorophenyl)triazol-4-yl]-phenylmethanone?
[1-(4-chlorophenyl)triazol-4-yl]-phenylmethanone has a molecular weight of 283.72 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)triazol-4-yl]-phenylmethanone is sourced from PubChem (CID 5270614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).