2-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-3-one

C20H14ClN3O — CID 134915399

IUPAC2-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-3-one
SMILESO=c1nc(-c2ccccc2)n(-c2ccccc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C20H14ClN3O/c21-16-11-13-18(14-12-16)24-20(25)22-19(15-7-3-1-4-8-15)23(24)17-9-5-2-6-10-17/h1-14H
InChIKeyUPEBMTDDKDCGOF-UHFFFAOYSA-N
MW347.81 g/mol
LogP4.34
Rot. Bonds3

About 2-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-3-one

2-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-3-one (PubChem CID 134915399) has the molecular formula C20H14ClN3O and a molecular weight of 347.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-3-one
PubChem CID134915399
Molecular FormulaC20H14ClN3O
Molecular Weight347.81 g/mol
Exact Mass347.08
IUPAC Name2-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-3-one
SMILESO=c1nc(-c2ccccc2)n(-c2ccccc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C20H14ClN3O/c21-16-11-13-18(14-12-16)24-20(25)22-19(15-7-3-1-4-8-15)23(24)17-9-5-2-6-10-17/h1-14H
InChIKeyUPEBMTDDKDCGOF-UHFFFAOYSA-N
XLogP4.34
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-2,5-diphenyl-1,2,4-triazol-3-one
CID 14708613
2-(4-chlorophenyl)-1,5-dimethyl-1,2,4-triazol-3-one
CID 14708603
2-(4-chlorophenyl)-1,4-diphenylimidazole
CID 44632179
2-(4-chlorophenyl)-4,5-diphenyl-1,2,4-triazole-3-thione
CID 10761239
5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole
CID 13163603
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one
CID 23854030
3-chloro-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole
CID 11077118
1-(4-chlorophenyl)-2-phenyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 154339342
5-(4-chlorophenyl)-1-phenyl-1,2,4-triazole
CID 13171070
2-(4-chlorophenyl)-1,5-diphenylpyrrole
CID 12741718
1-(4-chlorophenyl)-N,N-diethyl-5-phenyl-1,2,4-triazole-3-carboxamide
CID 1211362
2-(4-chlorophenyl)-4-phenylphthalazin-1-one
CID 110172596

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-3-one?
The IUPAC name of 2-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-3-one (CID 134915399) is 2-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-3-one is O=c1nc(-c2ccccc2)n(-c2ccccc2)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-3-one?
The InChIKey is UPEBMTDDKDCGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O/c21-16-11-13-18(14-12-16)24-20(25)22-19(15-7-3-1-4-8-15)23(24)17-9-5-2-6-10-17/h1-14H.
What are the key properties of 2-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-3-one?
2-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-3-one has a molecular weight of 347.81 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-3-one is sourced from PubChem (CID 134915399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).