[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanol

C15H13ClN4O — CID 82196326

IUPAC[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanol
SMILESCc1ccc(Cl)cc1-n1nnc(CO)c1-c1ccncc1
InChIInChI=1S/C15H13ClN4O/c1-10-2-3-12(16)8-14(10)20-15(13(9-21)18-19-20)11-4-6-17-7-5-11/h2-8,21H,9H2,1H3
InChIKeyGHCJOGHVYOMFLY-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.78
Rot. Bonds3

About [1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanol

[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanol (PubChem CID 82196326) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is [1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanol
PubChem CID82196326
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanol
SMILESCc1ccc(Cl)cc1-n1nnc(CO)c1-c1ccncc1
InChIInChI=1S/C15H13ClN4O/c1-10-2-3-12(16)8-14(10)20-15(13(9-21)18-19-20)11-4-6-17-7-5-11/h2-8,21H,9H2,1H3
InChIKeyGHCJOGHVYOMFLY-UHFFFAOYSA-N
XLogP2.78
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82196353
[1-(5-chloro-2-methylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol
CID 82196332
[1-(4-chloro-2-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 94935792
[5-benzyl-1-(5-chloro-2-methylphenyl)triazol-4-yl]methanol
CID 94937113
[5-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 56769333
[5-(3,5-difluorophenyl)-1-(2-methylphenyl)triazol-4-yl]methanol
CID 56769489
[5-(3-chlorophenyl)-1-(2-ethylphenyl)triazol-4-yl]methanol
CID 94935756
[1-(4-chloro-2-methylphenyl)-5-cyclobutyltriazol-4-yl]methanol
CID 82195237
[5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol
CID 56769387
[1-(2-ethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol
CID 82195103
1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonitrile
CID 82196284
5-(4-chlorophenyl)-1-(5-fluoro-2-methylphenyl)triazole-4-carboxylic acid
CID 56768812

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanol?
The IUPAC name of [1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanol (CID 82196326) is [1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanol.
What is the SMILES notation for [1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanol?
The canonical SMILES for [1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanol is Cc1ccc(Cl)cc1-n1nnc(CO)c1-c1ccncc1.
What is the InChIKey of [1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanol?
The InChIKey is GHCJOGHVYOMFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-10-2-3-12(16)8-14(10)20-15(13(9-21)18-19-20)11-4-6-17-7-5-11/h2-8,21H,9H2,1H3.
What are the key properties of [1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanol?
[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanol has a molecular weight of 300.75 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanol is sourced from PubChem (CID 82196326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).