2-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C9H12N4O — CID 61387537

IUPAC2-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCNCCn1nc2ccccn2c1=O
InChIInChI=1S/C9H12N4O/c1-10-5-7-13-9(14)12-6-3-2-4-8(12)11-13/h2-4,6,10H,5,7H2,1H3
InChIKeyHTGCBKKIXPERET-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.28
Rot. Bonds3

About 2-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 61387537) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID61387537
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCNCCn1nc2ccccn2c1=O
InChIInChI=1S/C9H12N4O/c1-10-5-7-13-9(14)12-6-3-2-4-8(12)11-13/h2-4,6,10H,5,7H2,1H3
InChIKeyHTGCBKKIXPERET-UHFFFAOYSA-N
XLogP-0.28
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 61387537) is 2-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CNCCn1nc2ccccn2c1=O.
What is the InChIKey of 2-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is HTGCBKKIXPERET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-10-5-7-13-9(14)12-6-3-2-4-8(12)11-13/h2-4,6,10H,5,7H2,1H3.
What are the key properties of 2-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 192.22 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 61387537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).