[2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine

C13H11ClN4 — CID 117133068

IUPAC[2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
SMILESNCc1cccc2nc(-c3ccccc3Cl)nn12
InChIInChI=1S/C13H11ClN4/c14-11-6-2-1-5-10(11)13-16-12-7-3-4-9(8-15)18(12)17-13/h1-7H,8,15H2
InChIKeyBEPCFCWKRLZFMG-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.51
Rot. Bonds2

About [2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine

[2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine (PubChem CID 117133068) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
PubChem CID117133068
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name[2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
SMILESNCc1cccc2nc(-c3ccccc3Cl)nn12
InChIInChI=1S/C13H11ClN4/c14-11-6-2-1-5-10(11)13-16-12-7-3-4-9(8-15)18(12)17-13/h1-7H,8,15H2
InChIKeyBEPCFCWKRLZFMG-UHFFFAOYSA-N
XLogP2.51
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117133109
[2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
CID 117132402
[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
CID 117132976
5-chloro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117133090
[2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
CID 117132793
[2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
CID 117132138
2-(2-chlorophenyl)pyrimidine-4,6-diamine
CID 83868891
3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride
CID 174661750
1-[5-amino-3-(2-chlorophenyl)-1,2,4-triazol-1-yl]pentan-1-one
CID 46269804
6-chloro-2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazine
CID 169100695
5-chloro-3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole
CID 166314309
2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine
CID 28908823

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine?
The IUPAC name of [2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine (CID 117133068) is [2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine.
What is the SMILES notation for [2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine?
The canonical SMILES for [2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine is NCc1cccc2nc(-c3ccccc3Cl)nn12.
What is the InChIKey of [2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine?
The InChIKey is BEPCFCWKRLZFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c14-11-6-2-1-5-10(11)13-16-12-7-3-4-9(8-15)18(12)17-13/h1-7H,8,15H2.
What are the key properties of [2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine?
[2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine has a molecular weight of 258.71 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine is sourced from PubChem (CID 117133068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).