3-(3-chlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine

C13H11ClN4 — CID 39079992

IUPAC3-(3-chlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCc1cc(N)c2nnc(-c3cccc(Cl)c3)n2c1
InChIInChI=1S/C13H11ClN4/c1-8-5-11(15)13-17-16-12(18(13)7-8)9-3-2-4-10(14)6-9/h2-7H,15H2,1H3
InChIKeyWSTUVPKSQWMTCH-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.94
Rot. Bonds1

About 3-(3-chlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine

3-(3-chlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 39079992) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID39079992
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name3-(3-chlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCc1cc(N)c2nnc(-c3cccc(Cl)c3)n2c1
InChIInChI=1S/C13H11ClN4/c1-8-5-11(15)13-17-16-12(18(13)7-8)9-3-2-4-10(14)6-9/h2-7H,15H2,1H3
InChIKeyWSTUVPKSQWMTCH-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

6-bromo-3-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080167
3-(3-ethoxyphenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 83965947
3-(3-bromophenyl)-6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080057
3,5-bis(3-chlorophenyl)-1,2,4-triazol-4-amine
CID 15499603
6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080056
6-fluoro-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 83965957
6-chloro-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080062
6-chloro-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080069
6-bromo-3-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080153
3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
CID 83966105
3-bromo-6-(3-chlorophenyl)imidazo[1,2-a]pyridin-8-amine
CID 23593559
3-(3-chlorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117142184

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 3-(3-chlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 39079992) is 3-(3-chlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 3-(3-chlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine is Cc1cc(N)c2nnc(-c3cccc(Cl)c3)n2c1.
What is the InChIKey of 3-(3-chlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is WSTUVPKSQWMTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c1-8-5-11(15)13-17-16-12(18(13)7-8)9-3-2-4-10(14)6-9/h2-7H,15H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
3-(3-chlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-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-(3-chlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 39079992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).