3-(4-bromophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C13H11BrN4 — CID 82061271

IUPAC3-(4-bromophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCc1cc2nnc(-c3ccc(Br)cc3)n2cc1N
InChIInChI=1S/C13H11BrN4/c1-8-6-12-16-17-13(18(12)7-11(8)15)9-2-4-10(14)5-3-9/h2-7H,15H2,1H3
InChIKeyIZYZHELLKPNVOR-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.05
Rot. Bonds1

About 3-(4-bromophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine

3-(4-bromophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 82061271) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is 3-(4-bromophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID82061271
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name3-(4-bromophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCc1cc2nnc(-c3ccc(Br)cc3)n2cc1N
InChIInChI=1S/C13H11BrN4/c1-8-6-12-16-17-13(18(12)7-11(8)15)9-2-4-10(14)5-3-9/h2-7H,15H2,1H3
InChIKeyIZYZHELLKPNVOR-UHFFFAOYSA-N
XLogP3.05
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-3-[2-(4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82061309
3-(3,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 107974678
4-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-nitroaniline
CID 65348041
6-bromo-3-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080153
2-bromo-5-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 107813659
2-bromo-5-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 107813656
3-(4-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 83966085
3-(4-bromophenyl)-7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428437
6-bromo-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 84609703
3-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 55087007
2-(3,4-dimethoxyphenyl)-3,7-dimethylimidazo[1,2-a]pyridin-6-amine
CID 82060074
3-chloro-7-methylimidazo[1,2-a]pyridin-6-amine
CID 155294268

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-(4-bromophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 82061271) is 3-(4-bromophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-(4-bromophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-(4-bromophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine is Cc1cc2nnc(-c3ccc(Br)cc3)n2cc1N.
What is the InChIKey of 3-(4-bromophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is IZYZHELLKPNVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4/c1-8-6-12-16-17-13(18(12)7-11(8)15)9-2-4-10(14)5-3-9/h2-7H,15H2,1H3.
What are the key properties of 3-(4-bromophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-(4-bromophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 303.16 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 82061271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).