2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine

C9H12N4 — CID 79002399

IUPAC2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESCc1ccn2c(CCN)nnc2c1
InChIInChI=1S/C9H12N4/c1-7-3-5-13-8(2-4-10)11-12-9(13)6-7/h3,5-6H,2,4,10H2,1H3
InChIKeyHTRJAYKLOLEHBF-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.54
Rot. Bonds2

About 2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine

2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (PubChem CID 79002399) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
PubChem CID79002399
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESCc1ccn2c(CCN)nnc2c1
InChIInChI=1S/C9H12N4/c1-7-3-5-13-8(2-4-10)11-12-9(13)6-7/h3,5-6H,2,4,10H2,1H3
InChIKeyHTRJAYKLOLEHBF-UHFFFAOYSA-N
XLogP0.54
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The IUPAC name of 2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (CID 79002399) is 2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.
What is the SMILES notation for 2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The canonical SMILES for 2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is Cc1ccn2c(CCN)nnc2c1.
What is the InChIKey of 2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The InChIKey is HTRJAYKLOLEHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-7-3-5-13-8(2-4-10)11-12-9(13)6-7/h3,5-6H,2,4,10H2,1H3.
What are the key properties of 2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine has a molecular weight of 176.22 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is sourced from PubChem (CID 79002399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).