[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol

C15H12ClN3O — CID 115395824

IUPAC[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
SMILESOCc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1
InChIInChI=1S/C15H12ClN3O/c16-12-8-6-11(7-9-12)15-18-17-14(10-20)19(15)13-4-2-1-3-5-13/h1-9,20H,10H2
InChIKeyLVMZCPATJDFNFO-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.08
Rot. Bonds3

About [5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol

[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol (PubChem CID 115395824) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
PubChem CID115395824
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
SMILESOCc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1
InChIInChI=1S/C15H12ClN3O/c16-12-8-6-11(7-9-12)15-18-17-14(10-20)19(15)13-4-2-1-3-5-13/h1-9,20H,10H2
InChIKeyLVMZCPATJDFNFO-UHFFFAOYSA-N
XLogP3.08
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(chloromethyl)-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole
CID 83968302
[5-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395862
[5-(3-fluoro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395836
3-chloro-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole
CID 11077118
3-(4-chlorophenyl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole
CID 47003671
4-(4-chlorophenyl)-3-phenyl-5-(2-phenylselanylethyl)-1,2,4-triazole
CID 24764379
3-(bromomethyl)-5-(3,4-dichlorophenyl)-4-phenyl-1,2,4-triazole
CID 115398710
[5-(2,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395828
3-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
CID 2047264
2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone
CID 3166788
3-(4-chlorophenyl)-4-phenyl-5-(3-phenylpropylsulfanyl)-1,2,4-triazole
CID 7169015
2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7169017

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol (CID 115395824) is [5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol is OCc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1.
What is the InChIKey of [5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is LVMZCPATJDFNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-12-8-6-11(7-9-12)15-18-17-14(10-20)19(15)13-4-2-1-3-5-13/h1-9,20H,10H2.
What are the key properties of [5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 285.73 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115395824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).