2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylethanamine

C9H11BrN4 — CID 83844072

IUPAC2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylethanamine
SMILESCNCCc1nc2c(Br)cccn2n1
InChIInChI=1S/C9H11BrN4/c1-11-5-4-8-12-9-7(10)3-2-6-14(9)13-8/h2-3,6,11H,4-5H2,1H3
InChIKeyYYEIMWJQCXQOSQ-UHFFFAOYSA-N
MW255.12 g/mol
LogP1.25
Rot. Bonds3

About 2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylethanamine

2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylethanamine (PubChem CID 83844072) has the molecular formula C9H11BrN4 and a molecular weight of 255.12 g/mol. Its IUPAC name is 2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylethanamine
PubChem CID83844072
Molecular FormulaC9H11BrN4
Molecular Weight255.12 g/mol
Exact Mass254.02
IUPAC Name2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylethanamine
SMILESCNCCc1nc2c(Br)cccn2n1
InChIInChI=1S/C9H11BrN4/c1-11-5-4-8-12-9-7(10)3-2-6-14(9)13-8/h2-3,6,11H,4-5H2,1H3
InChIKeyYYEIMWJQCXQOSQ-UHFFFAOYSA-N
XLogP1.25
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117137491
8-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106418462
4-[2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzoic acid
CID 123222984
8-bromo-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117137276
N-methyl-1-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanamine
CID 83866288
N-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]cyclopentanamine
CID 117257987
8-bromo-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117258015
8-bromo-2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136097
8-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 80688703
N-methyl-2-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 103121877
3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2,3-dimethylbutan-2-ol
CID 114156328
methyl 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoate
CID 116989828

Frequently Asked Questions

What is the IUPAC name of 2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylethanamine?
The IUPAC name of 2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylethanamine (CID 83844072) is 2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylethanamine is CNCCc1nc2c(Br)cccn2n1.
What is the InChIKey of 2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylethanamine?
The InChIKey is YYEIMWJQCXQOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4/c1-11-5-4-8-12-9-7(10)3-2-6-14(9)13-8/h2-3,6,11H,4-5H2,1H3.
What are the key properties of 2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylethanamine?
2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylethanamine has a molecular weight of 255.12 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylethanamine is sourced from PubChem (CID 83844072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).