[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanol

C10H10ClN3O — CID 82203683

IUPAC[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanol
SMILESOCc1cnnn1Cc1cccc(Cl)c1
InChIInChI=1S/C10H10ClN3O/c11-9-3-1-2-8(4-9)6-14-10(7-15)5-12-13-14/h1-5,15H,6-7H2
InChIKeyLAWJLWXITHSHQY-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.47
Rot. Bonds3

About [3-[(3-chlorophenyl)methyl]triazol-4-yl]methanol

[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanol (PubChem CID 82203683) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is [3-[(3-chlorophenyl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanol
PubChem CID82203683
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanol
SMILESOCc1cnnn1Cc1cccc(Cl)c1
InChIInChI=1S/C10H10ClN3O/c11-9-3-1-2-8(4-9)6-14-10(7-15)5-12-13-14/h1-5,15H,6-7H2
InChIKeyLAWJLWXITHSHQY-UHFFFAOYSA-N
XLogP1.47
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[(3-chlorophenyl)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

[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 82203684
3-(3-benzyltriazol-4-yl)propan-1-ol
CID 178053444
[1-[(3-chlorophenyl)methyl]-5-(2-methylpropyl)triazol-4-yl]methanol
CID 82203633
[5-chloro-1-[(3-chlorophenyl)methyl]-3-ethylpyrazol-4-yl]methanol
CID 55172991
5-bromo-1-[(3-chlorophenyl)methyl]tetrazole
CID 82093565
[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82697489
1-[(3-chlorophenyl)methyl]triazole
CID 12811466
3-[(3-chlorophenyl)methyl]-4-(hydroxymethyl)-1H-imidazole-2-thione
CID 66148444
4-bromo-1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazole
CID 62128432
[1-[(3-chlorophenyl)methyl]-5-(2-fluorophenyl)triazol-4-yl]methanol
CID 94943384
[1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol
CID 94943378
1-[(3-chlorophenyl)methyl]-5-methyltriazol-4-amine
CID 79542116

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chlorophenyl)methyl]triazol-4-yl]methanol?
The IUPAC name of [3-[(3-chlorophenyl)methyl]triazol-4-yl]methanol (CID 82203683) is [3-[(3-chlorophenyl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [3-[(3-chlorophenyl)methyl]triazol-4-yl]methanol?
The canonical SMILES for [3-[(3-chlorophenyl)methyl]triazol-4-yl]methanol is OCc1cnnn1Cc1cccc(Cl)c1.
What is the InChIKey of [3-[(3-chlorophenyl)methyl]triazol-4-yl]methanol?
The InChIKey is LAWJLWXITHSHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c11-9-3-1-2-8(4-9)6-14-10(7-15)5-12-13-14/h1-5,15H,6-7H2.
What are the key properties of [3-[(3-chlorophenyl)methyl]triazol-4-yl]methanol?
[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanol has a molecular weight of 223.66 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chlorophenyl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 82203683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).