(2,4-dichlorophenyl)-(5-phenyl-2H-triazol-4-yl)methanone

C15H9Cl2N3O — CID 135057764

IUPAC(2,4-dichlorophenyl)-(5-phenyl-2H-triazol-4-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)c1n[nH]nc1-c1ccccc1
InChIInChI=1S/C15H9Cl2N3O/c16-10-6-7-11(12(17)8-10)15(21)14-13(18-20-19-14)9-4-2-1-3-5-9/h1-8H,(H,18,19,20)
InChIKeyUTKVKIHJMHBINO-UHFFFAOYSA-N
MW318.16 g/mol
LogP4.01
Rot. Bonds3

About (2,4-dichlorophenyl)-(5-phenyl-2H-triazol-4-yl)methanone

(2,4-dichlorophenyl)-(5-phenyl-2H-triazol-4-yl)methanone (PubChem CID 135057764) has the molecular formula C15H9Cl2N3O and a molecular weight of 318.16 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(5-phenyl-2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(5-phenyl-2H-triazol-4-yl)methanone
PubChem CID135057764
Molecular FormulaC15H9Cl2N3O
Molecular Weight318.16 g/mol
Exact Mass317.01
IUPAC Name(2,4-dichlorophenyl)-(5-phenyl-2H-triazol-4-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)c1n[nH]nc1-c1ccccc1
InChIInChI=1S/C15H9Cl2N3O/c16-10-6-7-11(12(17)8-10)15(21)14-13(18-20-19-14)9-4-2-1-3-5-9/h1-8H,(H,18,19,20)
InChIKeyUTKVKIHJMHBINO-UHFFFAOYSA-N
XLogP4.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-2H-triazole-4-carboxylic acid
CID 82372862
(4-chlorophenyl)methyl 5-phenyl-2H-triazole-4-carboxylate
CID 100663799
5-(2-amino-5-chlorobenzoyl)-2H-triazole-4-carboxylic acid
CID 152704973
5-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxylic acid
CID 83648852
4,5-diphenyl-2H-triazole
CID 613500
5-[3-(3,4-dichlorophenyl)phenyl]-2H-triazole-4-carboxylic acid
CID 155250572
5-(3,4-dichlorophenyl)-2H-triazole-4-carboxylic acid
CID 83656916
[5-(2-chlorophenyl)-2H-triazol-4-yl]-(2-hydroxyphenyl)methanone
CID 155934296
(2-hydroxyphenyl)-[5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-yl]methanone
CID 155934303
4-[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]-3-phenyl-1H-pyridazin-6-one
CID 52912768
N-(3,4-difluorophenyl)-5-phenyl-2H-triazole-4-carboxamide
CID 166221920
(2,4-dichlorophenyl)-pyrimidin-2-ylmethanone
CID 154508101

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(5-phenyl-2H-triazol-4-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(5-phenyl-2H-triazol-4-yl)methanone (CID 135057764) is (2,4-dichlorophenyl)-(5-phenyl-2H-triazol-4-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(5-phenyl-2H-triazol-4-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(5-phenyl-2H-triazol-4-yl)methanone is O=C(c1ccc(Cl)cc1Cl)c1n[nH]nc1-c1ccccc1.
What is the InChIKey of (2,4-dichlorophenyl)-(5-phenyl-2H-triazol-4-yl)methanone?
The InChIKey is UTKVKIHJMHBINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O/c16-10-6-7-11(12(17)8-10)15(21)14-13(18-20-19-14)9-4-2-1-3-5-9/h1-8H,(H,18,19,20).
What are the key properties of (2,4-dichlorophenyl)-(5-phenyl-2H-triazol-4-yl)methanone?
(2,4-dichlorophenyl)-(5-phenyl-2H-triazol-4-yl)methanone has a molecular weight of 318.16 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(5-phenyl-2H-triazol-4-yl)methanone is sourced from PubChem (CID 135057764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).