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

C13H11BrN4O — CID 115370047

IUPAC3-(4-bromo-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCOc1cc(Br)ccc1-c1nnc2ccc(N)cn12
InChIInChI=1S/C13H11BrN4O/c1-19-11-6-8(14)2-4-10(11)13-17-16-12-5-3-9(15)7-18(12)13/h2-7H,15H2,1H3
InChIKeyMRLYOEBUKXEXJK-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.75
Rot. Bonds2

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

3-(4-bromo-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 115370047) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is 3-(4-bromo-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-(4-bromo-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID115370047
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC Name3-(4-bromo-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCOc1cc(Br)ccc1-c1nnc2ccc(N)cn12
InChIInChI=1S/C13H11BrN4O/c1-19-11-6-8(14)2-4-10(11)13-17-16-12-5-3-9(15)7-18(12)13/h2-7H,15H2,1H3
InChIKeyMRLYOEBUKXEXJK-UHFFFAOYSA-N
XLogP2.75
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-bromo-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine with MolForge

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Related Compounds

3-(2-chloro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 106863675
3-(3,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 107974678
6-bromo-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 84609703
3-(3-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 62538543
3-(2-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 79205858
3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 62538376
methyl 3-(2,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 114375490
3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 4730548
4-methoxy-3-[3-(2-methoxy-4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline
CID 57413857
4-amino-3-(4-bromo-2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 69058666
2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6-dichloroaniline
CID 65348078
3-(3-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 63800696

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-(4-bromo-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 115370047) is 3-(4-bromo-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-(4-bromo-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-(4-bromo-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is COc1cc(Br)ccc1-c1nnc2ccc(N)cn12.
What is the InChIKey of 3-(4-bromo-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is MRLYOEBUKXEXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c1-19-11-6-8(14)2-4-10(11)13-17-16-12-5-3-9(15)7-18(12)13/h2-7H,15H2,1H3.
What are the key properties of 3-(4-bromo-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-(4-bromo-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 319.16 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 115370047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).