(3,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanone

C15H9Cl2N3O — CID 5270534

IUPAC(3,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H9Cl2N3O/c16-12-7-6-10(8-13(12)17)15(21)14-9-20(19-18-14)11-4-2-1-3-5-11/h1-9H
InChIKeyWZCCVXRDMDFBBB-UHFFFAOYSA-N
MW318.16 g/mol
LogP3.81
Rot. Bonds3

About (3,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanone

(3,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanone (PubChem CID 5270534) has the molecular formula C15H9Cl2N3O and a molecular weight of 318.16 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanone
PubChem CID5270534
Molecular FormulaC15H9Cl2N3O
Molecular Weight318.16 g/mol
Exact Mass317.01
IUPAC Name(3,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H9Cl2N3O/c16-12-7-6-10(8-13(12)17)15(21)14-9-20(19-18-14)11-4-2-1-3-5-11/h1-9H
InChIKeyWZCCVXRDMDFBBB-UHFFFAOYSA-N
XLogP3.81
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanone (CID 5270534) is (3,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanone is O=C(c1ccc(Cl)c(Cl)c1)c1cn(-c2ccccc2)nn1.
What is the InChIKey of (3,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanone?
The InChIKey is WZCCVXRDMDFBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O/c16-12-7-6-10(8-13(12)17)15(21)14-9-20(19-18-14)11-4-2-1-3-5-11/h1-9H.
What are the key properties of (3,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanone?
(3,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanone has a molecular weight of 318.16 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 5270534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).