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

C8H10N4O — CID 43184083

IUPAC2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNCCn1nc2ccccn2c1=O
InChIInChI=1S/C8H10N4O/c9-4-6-12-8(13)11-5-2-1-3-7(11)10-12/h1-3,5H,4,6,9H2
InChIKeyOLRMEUCJESNBHA-UHFFFAOYSA-N
MW178.20 g/mol
LogP-0.55
Rot. Bonds2

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

2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 43184083) has the molecular formula C8H10N4O and a molecular weight of 178.20 g/mol. Its IUPAC name is 2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID43184083
Molecular FormulaC8H10N4O
Molecular Weight178.20 g/mol
Exact Mass178.09
IUPAC Name2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNCCn1nc2ccccn2c1=O
InChIInChI=1S/C8H10N4O/c9-4-6-12-8(13)11-5-2-1-3-7(11)10-12/h1-3,5H,4,6,9H2
InChIKeyOLRMEUCJESNBHA-UHFFFAOYSA-N
XLogP-0.55
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 43184083) is 2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is NCCn1nc2ccccn2c1=O.
What is the InChIKey of 2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is OLRMEUCJESNBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c9-4-6-12-8(13)11-5-2-1-3-7(11)10-12/h1-3,5H,4,6,9H2.
What are the key properties of 2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 178.20 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 43184083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).