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

C14H13BrN4 — CID 39080153

IUPAC6-bromo-3-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCc1ccc(-c2nnc3c(N)cc(Br)cn23)cc1C
InChIInChI=1S/C14H13BrN4/c1-8-3-4-10(5-9(8)2)13-17-18-14-12(16)6-11(15)7-19(13)14/h3-7H,16H2,1-2H3
InChIKeyYXKPSRJURJURID-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.36
Rot. Bonds1

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

6-bromo-3-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 39080153) has the molecular formula C14H13BrN4 and a molecular weight of 317.19 g/mol. Its IUPAC name is 6-bromo-3-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name6-bromo-3-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID39080153
Molecular FormulaC14H13BrN4
Molecular Weight317.19 g/mol
Exact Mass316.03
IUPAC Name6-bromo-3-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCc1ccc(-c2nnc3c(N)cc(Br)cn23)cc1C
InChIInChI=1S/C14H13BrN4/c1-8-3-4-10(5-9(8)2)13-17-18-14-12(16)6-11(15)7-19(13)14/h3-7H,16H2,1-2H3
InChIKeyYXKPSRJURJURID-UHFFFAOYSA-N
XLogP3.36
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.36
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
6-bromo-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080197
3-(3-bromophenyl)-6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080057
6-fluoro-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 83965957
6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080056
6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine
CID 82059448
3-(4-bromophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82061271
3-(3-chlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39079992
5-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-8-amine
CID 82343065
6-chloro-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080069
6-bromo-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080190
3-benzyl-6-bromo-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080157

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 6-bromo-3-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 39080153) is 6-bromo-3-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 6-bromo-3-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 6-bromo-3-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine is Cc1ccc(-c2nnc3c(N)cc(Br)cn23)cc1C.
What is the InChIKey of 6-bromo-3-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is YXKPSRJURJURID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4/c1-8-3-4-10(5-9(8)2)13-17-18-14-12(16)6-11(15)7-19(13)14/h3-7H,16H2,1-2H3.
What are the key properties of 6-bromo-3-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
6-bromo-3-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine has a molecular weight of 317.19 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 39080153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).