[5-benzyl-1-(5-chloro-2-methylphenyl)triazol-4-yl]methanol

C17H16ClN3O — CID 94937113

IUPAC[5-benzyl-1-(5-chloro-2-methylphenyl)triazol-4-yl]methanol
SMILESCc1ccc(Cl)cc1-n1nnc(CO)c1Cc1ccccc1
InChIInChI=1S/C17H16ClN3O/c1-12-7-8-14(18)10-16(12)21-17(15(11-22)19-20-21)9-13-5-3-2-4-6-13/h2-8,10,22H,9,11H2,1H3
InChIKeyCTEZDZZUBFDQIB-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.31
Rot. Bonds4

About [5-benzyl-1-(5-chloro-2-methylphenyl)triazol-4-yl]methanol

[5-benzyl-1-(5-chloro-2-methylphenyl)triazol-4-yl]methanol (PubChem CID 94937113) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is [5-benzyl-1-(5-chloro-2-methylphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-benzyl-1-(5-chloro-2-methylphenyl)triazol-4-yl]methanol
PubChem CID94937113
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name[5-benzyl-1-(5-chloro-2-methylphenyl)triazol-4-yl]methanol
SMILESCc1ccc(Cl)cc1-n1nnc(CO)c1Cc1ccccc1
InChIInChI=1S/C17H16ClN3O/c1-12-7-8-14(18)10-16(12)21-17(15(11-22)19-20-21)9-13-5-3-2-4-6-13/h2-8,10,22H,9,11H2,1H3
InChIKeyCTEZDZZUBFDQIB-UHFFFAOYSA-N
XLogP3.31
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-chloro-2-methylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol
CID 82196332
[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanol
CID 82196326
[5-benzyl-1-(2-methylphenyl)triazol-4-yl]methanamine
CID 82198294
4-[5-benzyl-4-(hydroxymethyl)triazol-1-yl]phenol
CID 82194898
[5-benzyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanol
CID 94962795
[1-(2,4-dimethylphenyl)-5-(2-phenylethyl)triazol-4-yl]methanol
CID 94938536
[1-(2,5-dimethylphenyl)-5-(methoxymethyl)triazol-4-yl]methanol
CID 82195856
[5-butyl-1-(2,5-dimethylphenyl)triazol-4-yl]methanol
CID 82195788
[1-(2-methylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
CID 82198228
[1-(4-chloro-2-methylphenyl)-5-cyclobutyltriazol-4-yl]methanol
CID 82195237
(5-benzyl-1-butyltriazol-4-yl)methanol
CID 82205364
1-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)triazole-4-carbonitrile
CID 82196308

Frequently Asked Questions

What is the IUPAC name of [5-benzyl-1-(5-chloro-2-methylphenyl)triazol-4-yl]methanol?
The IUPAC name of [5-benzyl-1-(5-chloro-2-methylphenyl)triazol-4-yl]methanol (CID 94937113) is [5-benzyl-1-(5-chloro-2-methylphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-benzyl-1-(5-chloro-2-methylphenyl)triazol-4-yl]methanol?
The canonical SMILES for [5-benzyl-1-(5-chloro-2-methylphenyl)triazol-4-yl]methanol is Cc1ccc(Cl)cc1-n1nnc(CO)c1Cc1ccccc1.
What is the InChIKey of [5-benzyl-1-(5-chloro-2-methylphenyl)triazol-4-yl]methanol?
The InChIKey is CTEZDZZUBFDQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-12-7-8-14(18)10-16(12)21-17(15(11-22)19-20-21)9-13-5-3-2-4-6-13/h2-8,10,22H,9,11H2,1H3.
What are the key properties of [5-benzyl-1-(5-chloro-2-methylphenyl)triazol-4-yl]methanol?
[5-benzyl-1-(5-chloro-2-methylphenyl)triazol-4-yl]methanol has a molecular weight of 313.79 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-benzyl-1-(5-chloro-2-methylphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 94937113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).