[1-[(4-chlorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol

C14H16ClN3O — CID 82203350

IUPAC[1-[(4-chlorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol
SMILESOCc1nnn(Cc2ccc(Cl)cc2)c1C1CCC1
InChIInChI=1S/C14H16ClN3O/c15-12-6-4-10(5-7-12)8-18-14(11-2-1-3-11)13(9-19)16-17-18/h4-7,11,19H,1-3,8-9H2
InChIKeyBWBZSLSOVCJBJH-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.74
Rot. Bonds4

About [1-[(4-chlorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol

[1-[(4-chlorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol (PubChem CID 82203350) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol
PubChem CID82203350
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name[1-[(4-chlorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol
SMILESOCc1nnn(Cc2ccc(Cl)cc2)c1C1CCC1
InChIInChI=1S/C14H16ClN3O/c15-12-6-4-10(5-7-12)8-18-14(11-2-1-3-11)13(9-19)16-17-18/h4-7,11,19H,1-3,8-9H2
InChIKeyBWBZSLSOVCJBJH-UHFFFAOYSA-N
XLogP2.74
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(4-chlorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(4-chlorophenyl)methyl]-5-cyclopropyltriazol-4-yl]methanamine
CID 82203359
1-[(4-chlorophenyl)methyl]-5-cyclopropyltriazole-4-carboxylic acid
CID 62055610
[5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanol
CID 82211758
[1-(4-chloro-2-methylphenyl)-5-cyclobutyltriazol-4-yl]methanol
CID 82195237
[1-[(3-chlorophenyl)methyl]-5-cyclohexyltriazol-4-yl]methanamine
CID 82203673
[1-[(4-fluorophenyl)methyl]-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82203508
[1-[(4-methylphenyl)methyl]-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82203204
[5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazol-4-yl]methanol
CID 94943324
(5-cyclohexyl-1-propyltriazol-4-yl)methanol
CID 82204908
[5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203271
[5-cyclobutyl-1-[(2,6-dichlorophenyl)methyl]triazol-4-yl]methanamine
CID 94943290
[5-cyclobutyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol
CID 82209110

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol?
The IUPAC name of [1-[(4-chlorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol (CID 82203350) is [1-[(4-chlorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol is OCc1nnn(Cc2ccc(Cl)cc2)c1C1CCC1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol?
The InChIKey is BWBZSLSOVCJBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-12-6-4-10(5-7-12)8-18-14(11-2-1-3-11)13(9-19)16-17-18/h4-7,11,19H,1-3,8-9H2.
What are the key properties of [1-[(4-chlorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol?
[1-[(4-chlorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol has a molecular weight of 277.75 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol is sourced from PubChem (CID 82203350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).