6-chloro-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine

C14H13ClN4O2 — CID 39080062

IUPAC6-chloro-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCOc1cc(OC)cc(-c2nnc3c(N)cc(Cl)cn23)c1
InChIInChI=1S/C14H13ClN4O2/c1-20-10-3-8(4-11(6-10)21-2)13-17-18-14-12(16)5-9(15)7-19(13)14/h3-7H,16H2,1-2H3
InChIKeyAWJPZVJJMDZAKJ-UHFFFAOYSA-N
MW304.74 g/mol
LogP2.65
Rot. Bonds3

About 6-chloro-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine

6-chloro-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 39080062) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is 6-chloro-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name6-chloro-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID39080062
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC Name6-chloro-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCOc1cc(OC)cc(-c2nnc3c(N)cc(Cl)cn23)c1
InChIInChI=1S/C14H13ClN4O2/c1-20-10-3-8(4-11(6-10)21-2)13-17-18-14-12(16)5-9(15)7-19(13)14/h3-7H,16H2,1-2H3
InChIKeyAWJPZVJJMDZAKJ-UHFFFAOYSA-N
XLogP2.65
TPSA74.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080069
6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080056
3-(3-bromophenyl)-6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080057
6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080103
3-(3-chlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39079992
5-chloro-2-(3,5-dimethoxyphenyl)aniline
CID 81274669
6-bromo-3-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080167
6-bromo-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 84609703
3-(3-ethoxyphenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 83965947
6-bromo-3-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080153
6-fluoro-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 83965957
6-chloro-3-[(2,3-dimethylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080095

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 6-chloro-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 39080062) is 6-chloro-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 6-chloro-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 6-chloro-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine is COc1cc(OC)cc(-c2nnc3c(N)cc(Cl)cn23)c1.
What is the InChIKey of 6-chloro-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is AWJPZVJJMDZAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c1-20-10-3-8(4-11(6-10)21-2)13-17-18-14-12(16)5-9(15)7-19(13)14/h3-7H,16H2,1-2H3.
What are the key properties of 6-chloro-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
6-chloro-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine has a molecular weight of 304.74 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 39080062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).