[5-butyl-1-[(2-chloro-6-fluorophenyl)methyl]triazol-4-yl]methanol

C14H17ClFN3O — CID 82203844

IUPAC[5-butyl-1-[(2-chloro-6-fluorophenyl)methyl]triazol-4-yl]methanol
SMILESCCCCc1c(CO)nnn1Cc1c(F)cccc1Cl
InChIInChI=1S/C14H17ClFN3O/c1-2-3-7-14-13(9-20)17-18-19(14)8-10-11(15)5-4-6-12(10)16/h4-6,20H,2-3,7-9H2,1H3
InChIKeyLZRBXWAWJCRCNM-UHFFFAOYSA-N
MW297.76 g/mol
LogP2.95
Rot. Bonds6

About [5-butyl-1-[(2-chloro-6-fluorophenyl)methyl]triazol-4-yl]methanol

[5-butyl-1-[(2-chloro-6-fluorophenyl)methyl]triazol-4-yl]methanol (PubChem CID 82203844) has the molecular formula C14H17ClFN3O and a molecular weight of 297.76 g/mol. Its IUPAC name is [5-butyl-1-[(2-chloro-6-fluorophenyl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-butyl-1-[(2-chloro-6-fluorophenyl)methyl]triazol-4-yl]methanol
PubChem CID82203844
Molecular FormulaC14H17ClFN3O
Molecular Weight297.76 g/mol
Exact Mass297.10
IUPAC Name[5-butyl-1-[(2-chloro-6-fluorophenyl)methyl]triazol-4-yl]methanol
SMILESCCCCc1c(CO)nnn1Cc1c(F)cccc1Cl
InChIInChI=1S/C14H17ClFN3O/c1-2-3-7-14-13(9-20)17-18-19(14)8-10-11(15)5-4-6-12(10)16/h4-6,20H,2-3,7-9H2,1H3
InChIKeyLZRBXWAWJCRCNM-UHFFFAOYSA-N
XLogP2.95
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-butyl-1-[(2-chloro-6-fluorophenyl)methyl]triazol-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

Frequently Asked Questions

What is the IUPAC name of [5-butyl-1-[(2-chloro-6-fluorophenyl)methyl]triazol-4-yl]methanol?
The IUPAC name of [5-butyl-1-[(2-chloro-6-fluorophenyl)methyl]triazol-4-yl]methanol (CID 82203844) is [5-butyl-1-[(2-chloro-6-fluorophenyl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [5-butyl-1-[(2-chloro-6-fluorophenyl)methyl]triazol-4-yl]methanol?
The canonical SMILES for [5-butyl-1-[(2-chloro-6-fluorophenyl)methyl]triazol-4-yl]methanol is CCCCc1c(CO)nnn1Cc1c(F)cccc1Cl.
What is the InChIKey of [5-butyl-1-[(2-chloro-6-fluorophenyl)methyl]triazol-4-yl]methanol?
The InChIKey is LZRBXWAWJCRCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3O/c1-2-3-7-14-13(9-20)17-18-19(14)8-10-11(15)5-4-6-12(10)16/h4-6,20H,2-3,7-9H2,1H3.
What are the key properties of [5-butyl-1-[(2-chloro-6-fluorophenyl)methyl]triazol-4-yl]methanol?
[5-butyl-1-[(2-chloro-6-fluorophenyl)methyl]triazol-4-yl]methanol has a molecular weight of 297.76 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-butyl-1-[(2-chloro-6-fluorophenyl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 82203844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).