[1-[(2-chlorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanamine

C15H14ClN5 — CID 82203445

IUPAC[1-[(2-chlorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanamine
SMILESNCc1nnn(Cc2ccccc2Cl)c1-c1ccncc1
InChIInChI=1S/C15H14ClN5/c16-13-4-2-1-3-12(13)10-21-15(14(9-17)19-20-21)11-5-7-18-8-6-11/h1-8H,9-10,17H2
InChIKeyKRLWTVQRZQJUFW-UHFFFAOYSA-N
MW299.76 g/mol
LogP2.50
Rot. Bonds4

About [1-[(2-chlorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanamine

[1-[(2-chlorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanamine (PubChem CID 82203445) has the molecular formula C15H14ClN5 and a molecular weight of 299.76 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanamine
PubChem CID82203445
Molecular FormulaC15H14ClN5
Molecular Weight299.76 g/mol
Exact Mass299.09
IUPAC Name[1-[(2-chlorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanamine
SMILESNCc1nnn(Cc2ccccc2Cl)c1-c1ccncc1
InChIInChI=1S/C15H14ClN5/c16-13-4-2-1-3-12(13)10-21-15(14(9-17)19-20-21)11-5-7-18-8-6-11/h1-8H,9-10,17H2
InChIKeyKRLWTVQRZQJUFW-UHFFFAOYSA-N
XLogP2.50
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(2-chlorophenyl)methyl]-5-pyridin-4-yltriazol-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-pyridin-4-yltriazol-4-yl)methanamine
CID 82203160
[1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol
CID 94943250
[1-(3-phenoxypropyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 94945102
[1-[(2-chlorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanamine
CID 94943274
[1-benzyl-5-(2-chlorophenyl)triazol-4-yl]methanamine
CID 82203156
[1-(3-methylbutyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82208441
[5-(4-methoxyphenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanamine
CID 94943636
3-[4-(aminomethyl)-5-pyridin-4-yltriazol-1-yl]propane-1,2-diol
CID 82210377
[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]methanamine
CID 62736131
4-[5-[4-[(2-chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-3-[(3,5-dichlorophenyl)methyl]triazol-4-yl]pyridine
CID 69155008
[5-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 94943191
[5-(2-chlorophenyl)-1-ethyltriazol-4-yl]methanamine
CID 82207486

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanamine?
The IUPAC name of [1-[(2-chlorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanamine (CID 82203445) is [1-[(2-chlorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanamine.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanamine?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanamine is NCc1nnn(Cc2ccccc2Cl)c1-c1ccncc1.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanamine?
The InChIKey is KRLWTVQRZQJUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c16-13-4-2-1-3-12(13)10-21-15(14(9-17)19-20-21)11-5-7-18-8-6-11/h1-8H,9-10,17H2.
What are the key properties of [1-[(2-chlorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanamine?
[1-[(2-chlorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanamine has a molecular weight of 299.76 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanamine is sourced from PubChem (CID 82203445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).