[5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol

C16H14ClN3O — CID 56769387

IUPAC[5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol
SMILESCc1cccc(-n2nnc(CO)c2-c2cccc(Cl)c2)c1
InChIInChI=1S/C16H14ClN3O/c1-11-4-2-7-14(8-11)20-16(15(10-21)18-19-20)12-5-3-6-13(17)9-12/h2-9,21H,10H2,1H3
InChIKeyGNNYNCGVWVKWDO-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.39
Rot. Bonds3

About [5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol

[5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol (PubChem CID 56769387) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol
PubChem CID56769387
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name[5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol
SMILESCc1cccc(-n2nnc(CO)c2-c2cccc(Cl)c2)c1
InChIInChI=1S/C16H14ClN3O/c1-11-4-2-7-14(8-11)20-16(15(10-21)18-19-20)12-5-3-6-13(17)9-12/h2-9,21H,10H2,1H3
InChIKeyGNNYNCGVWVKWDO-UHFFFAOYSA-N
XLogP3.39
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Chlorophenyl)-(5-methyl-2-phenylpyrazol-3-yl)methanol
CID 121005639
Bis(3-chlorophenyl)-[5-methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-methanol
CID 129881484
[2-(4-Butyl-5-iodotriazol-1-yl)-5-chlorophenyl]-phenylmethanol
CID 164666482
[1-(2-fluorophenyl)-5-phenyl-1H-1,2,3-triazol-4-yl]methanol
CID 56686717
[1-(3-fluorophenyl)-5-phenyl-1H-1,2,3-triazol-4-yl]methanol
CID 56686727
[1-(4-fluorophenyl)-5-phenyl-1H-1,2,3-triazol-4-yl]methanol
CID 56686736
{5-phenyl-1-[2-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}methanol
CID 56769272
{5-phenyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}methanol
CID 56769273
{5-phenyl-1-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}methanol
CID 56769274
[1-(3,5-difluorophenyl)-5-phenyl-1H-1,2,3-triazol-4-yl]methanol
CID 56769275
[1-(3-fluoro-4-methylphenyl)-5-phenyl-1H-1,2,3-triazol-4-yl]methanol
CID 56769281
[5-(3-chlorophenyl)-1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 56769393

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol?
The IUPAC name of [5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol (CID 56769387) is [5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol?
The canonical SMILES for [5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol is Cc1cccc(-n2nnc(CO)c2-c2cccc(Cl)c2)c1.
What is the InChIKey of [5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol?
The InChIKey is GNNYNCGVWVKWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-11-4-2-7-14(8-11)20-16(15(10-21)18-19-20)12-5-3-6-13(17)9-12/h2-9,21H,10H2,1H3.
What are the key properties of [5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol?
[5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol has a molecular weight of 299.76 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 56769387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).