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

C16H13ClFN3O — CID 94943324

IUPAC[5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazol-4-yl]methanol
SMILESOCc1nnn(Cc2ccc(F)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClFN3O/c17-13-5-3-12(4-6-13)16-15(10-22)19-20-21(16)9-11-1-7-14(18)8-2-11/h1-8,22H,9-10H2
InChIKeyOIGZJMQWJCVWNK-UHFFFAOYSA-N
MW317.75 g/mol
LogP3.28
Rot. Bonds4

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

[5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazol-4-yl]methanol (PubChem CID 94943324) has the molecular formula C16H13ClFN3O and a molecular weight of 317.75 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazol-4-yl]methanol
PubChem CID94943324
Molecular FormulaC16H13ClFN3O
Molecular Weight317.75 g/mol
Exact Mass317.07
IUPAC Name[5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazol-4-yl]methanol
SMILESOCc1nnn(Cc2ccc(F)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClFN3O/c17-13-5-3-12(4-6-13)16-15(10-22)19-20-21(16)9-11-1-7-14(18)8-2-11/h1-8,22H,9-10H2
InChIKeyOIGZJMQWJCVWNK-UHFFFAOYSA-N
XLogP3.28
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(4-chlorophenyl)-1-[(4-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

Related Compounds

[1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol
CID 94943302
5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazole-4-carbaldehyde
CID 94943326
[1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol
CID 82203213
[5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203283
[5-(4-chlorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanol
CID 82208326
[5-(4-fluorophenyl)-1-heptyltriazol-4-yl]methanol
CID 82208048
[1-[(3-chlorophenyl)methyl]-5-(2-fluorophenyl)triazol-4-yl]methanol
CID 94943384
1-[(4-chlorophenyl)methyl]-5-(3,5-difluorophenyl)triazole-4-carboxylic acid
CID 56769224
[1-[(4-methylphenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol
CID 82203247
[1-[(4-chlorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol
CID 82203350
[1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol
CID 94943250
2-[5-(4-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]-N-propylacetamide
CID 94946279

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazol-4-yl]methanol?
The IUPAC name of [5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazol-4-yl]methanol (CID 94943324) is [5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazol-4-yl]methanol?
The canonical SMILES for [5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazol-4-yl]methanol is OCc1nnn(Cc2ccc(F)cc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of [5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazol-4-yl]methanol?
The InChIKey is OIGZJMQWJCVWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O/c17-13-5-3-12(4-6-13)16-15(10-22)19-20-21(16)9-11-1-7-14(18)8-2-11/h1-8,22H,9-10H2.
What are the key properties of [5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazol-4-yl]methanol?
[5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazol-4-yl]methanol has a molecular weight of 317.75 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 94943324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).