(3-chloro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine

C14H12ClN5 — CID 103443749

IUPAC(3-chloro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
SMILESNC(c1ncccc1Cl)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H12ClN5/c15-11-7-4-8-17-14(11)13(16)12-9-18-19-20(12)10-5-2-1-3-6-10/h1-9,13H,16H2
InChIKeyVCFNJOCPUZOYAA-UHFFFAOYSA-N
MW285.74 g/mol
LogP2.36
Rot. Bonds3

About (3-chloro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine

(3-chloro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine (PubChem CID 103443749) has the molecular formula C14H12ClN5 and a molecular weight of 285.74 g/mol. Its IUPAC name is (3-chloro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
PubChem CID103443749
Molecular FormulaC14H12ClN5
Molecular Weight285.74 g/mol
Exact Mass285.08
IUPAC Name(3-chloro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
SMILESNC(c1ncccc1Cl)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H12ClN5/c15-11-7-4-8-17-14(11)13(16)12-9-18-19-20(12)10-5-2-1-3-6-10/h1-9,13H,16H2
InChIKeyVCFNJOCPUZOYAA-UHFFFAOYSA-N
XLogP2.36
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-chloro-2-pyridinyl)-(3-phenyltriazol-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

(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methanamine
CID 103443748
(2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanamine
CID 107969139
(5-methylpyrimidin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 114688939
(2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684777
(2-iodophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 105043267
(4-bromophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 114686892
(5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 114688571
(5-methylpyrazin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 105184416
N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine
CID 114687408
1-(3-fluoro-2-pyridinyl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine
CID 114688838
2-phenoxy-1-(3-phenyltriazol-4-yl)ethanamine
CID 114687525
(3-methoxy-4-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 105066080

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine?
The IUPAC name of (3-chloro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine (CID 103443749) is (3-chloro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for (3-chloro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine?
The canonical SMILES for (3-chloro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine is NC(c1ncccc1Cl)c1cnnn1-c1ccccc1.
What is the InChIKey of (3-chloro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine?
The InChIKey is VCFNJOCPUZOYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5/c15-11-7-4-8-17-14(11)13(16)12-9-18-19-20(12)10-5-2-1-3-6-10/h1-9,13H,16H2.
What are the key properties of (3-chloro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine?
(3-chloro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine has a molecular weight of 285.74 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 103443749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).