3-(2-chloro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C13H11ClN4 — CID 106863675

IUPAC3-(2-chloro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCc1ccc(-c2nnc3ccc(N)cn23)c(Cl)c1
InChIInChI=1S/C13H11ClN4/c1-8-2-4-10(11(14)6-8)13-17-16-12-5-3-9(15)7-18(12)13/h2-7H,15H2,1H3
InChIKeyQPKBYRZDSSZLSY-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.94
Rot. Bonds1

About 3-(2-chloro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

3-(2-chloro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 106863675) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-(2-chloro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID106863675
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name3-(2-chloro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCc1ccc(-c2nnc3ccc(N)cn23)c(Cl)c1
InChIInChI=1S/C13H11ClN4/c1-8-2-4-10(11(14)6-8)13-17-16-12-5-3-9(15)7-18(12)13/h2-7H,15H2,1H3
InChIKeyQPKBYRZDSSZLSY-UHFFFAOYSA-N
XLogP2.94
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 55087007
3-(4-bromo-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 115370047
3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 61398971
3-(3,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 107974678
2-(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol
CID 137006538
3-(2-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 79205858
3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 62538376
3-(4-bromo-2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62389315
2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6-dichloroaniline
CID 65348078
3-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 62539031
3-(3-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 62538543
6-(2-chloro-4-methylphenyl)pyridin-3-amine
CID 144687572

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-(2-chloro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 106863675) is 3-(2-chloro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-(2-chloro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-(2-chloro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is Cc1ccc(-c2nnc3ccc(N)cn23)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is QPKBYRZDSSZLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c1-8-2-4-10(11(14)6-8)13-17-16-12-5-3-9(15)7-18(12)13/h2-7H,15H2,1H3.
What are the key properties of 3-(2-chloro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-(2-chloro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 258.71 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 106863675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).