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

C12H8BrClN4 — CID 39080057

IUPAC3-(3-bromophenyl)-6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESNc1cc(Cl)cn2c(-c3cccc(Br)c3)nnc12
InChIInChI=1S/C12H8BrClN4/c13-8-3-1-2-7(4-8)11-16-17-12-10(15)5-9(14)6-18(11)12/h1-6H,15H2
InChIKeyVIOMXNHFCMAXBX-UHFFFAOYSA-N
MW323.58 g/mol
LogP3.39
Rot. Bonds1

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

3-(3-bromophenyl)-6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 39080057) has the molecular formula C12H8BrClN4 and a molecular weight of 323.58 g/mol. Its IUPAC name is 3-(3-bromophenyl)-6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID39080057
Molecular FormulaC12H8BrClN4
Molecular Weight323.58 g/mol
Exact Mass321.96
IUPAC Name3-(3-bromophenyl)-6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESNc1cc(Cl)cn2c(-c3cccc(Br)c3)nnc12
InChIInChI=1S/C12H8BrClN4/c13-8-3-1-2-7(4-8)11-16-17-12-10(15)5-9(14)6-18(11)12/h1-6H,15H2
InChIKeyVIOMXNHFCMAXBX-UHFFFAOYSA-N
XLogP3.39
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.58
LogP ≤ 53.39
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-chlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39079992
6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080056
6-bromo-3-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080153
3-(3-bromophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 105393304
3-(3-bromophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117147131
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
[3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
CID 117145864
6-bromo-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080197
3-(3-bromophenyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117145584
3-(3-ethoxyphenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 83965947

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 3-(3-bromophenyl)-6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 39080057) is 3-(3-bromophenyl)-6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 3-(3-bromophenyl)-6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 3-(3-bromophenyl)-6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-amine is Nc1cc(Cl)cn2c(-c3cccc(Br)c3)nnc12.
What is the InChIKey of 3-(3-bromophenyl)-6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is VIOMXNHFCMAXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN4/c13-8-3-1-2-7(4-8)11-16-17-12-10(15)5-9(14)6-18(11)12/h1-6H,15H2.
What are the key properties of 3-(3-bromophenyl)-6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
3-(3-bromophenyl)-6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-amine has a molecular weight of 323.58 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 39080057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).