[5-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine

C17H17ClN4 — CID 94943191

IUPAC[5-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
SMILESCc1ccc(Cn2nnc(CN)c2-c2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN4/c1-12-6-8-13(9-7-12)11-22-17(16(10-19)20-21-22)14-4-2-3-5-15(14)18/h2-9H,10-11,19H2,1H3
InChIKeyABHIKUBNLILXBZ-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.41
Rot. Bonds4

About [5-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine

[5-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine (PubChem CID 94943191) has the molecular formula C17H17ClN4 and a molecular weight of 312.80 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
PubChem CID94943191
Molecular FormulaC17H17ClN4
Molecular Weight312.80 g/mol
Exact Mass312.11
IUPAC Name[5-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
SMILESCc1ccc(Cn2nnc(CN)c2-c2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN4/c1-12-6-8-13(9-7-12)11-22-17(16(10-19)20-21-22)14-4-2-3-5-15(14)18/h2-9H,10-11,19H2,1H3
InChIKeyABHIKUBNLILXBZ-UHFFFAOYSA-N
XLogP3.41
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine 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-benzyl-5-(2-chlorophenyl)triazol-4-yl]methanamine
CID 82203156
[5-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203281
[5-(2-chlorophenyl)-1-ethyltriazol-4-yl]methanamine
CID 82207486
[5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203279
[5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203283
[5-(2-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine
CID 82198074
[5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203271
[1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol
CID 82203213
3-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]pyrazol-5-amine
CID 43471217
[5-butyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203267
(1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine
CID 82203160
[1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82207457

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [5-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine (CID 94943191) is [5-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [5-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine is Cc1ccc(Cn2nnc(CN)c2-c2ccccc2Cl)cc1.
What is the InChIKey of [5-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine?
The InChIKey is ABHIKUBNLILXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4/c1-12-6-8-13(9-7-12)11-22-17(16(10-19)20-21-22)14-4-2-3-5-15(14)18/h2-9H,10-11,19H2,1H3.
What are the key properties of [5-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine?
[5-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine has a molecular weight of 312.80 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 94943191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).