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

C11H16N4O2 — CID 43165995

IUPAC2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCNCC(O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C11H16N4O2/c1-2-12-7-9(16)8-15-11(17)14-6-4-3-5-10(14)13-15/h3-6,9,12,16H,2,7-8H2,1H3
InChIKeyIJASOOQSUSZALD-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.53
Rot. Bonds5

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

2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 43165995) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID43165995
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCNCC(O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C11H16N4O2/c1-2-12-7-9(16)8-15-11(17)14-6-4-3-5-10(14)13-15/h3-6,9,12,16H,2,7-8H2,1H3
InChIKeyIJASOOQSUSZALD-UHFFFAOYSA-N
XLogP-0.53
TPSA71.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 43165995) is 2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCNCC(O)Cn1nc2ccccn2c1=O.
What is the InChIKey of 2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is IJASOOQSUSZALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-12-7-9(16)8-15-11(17)14-6-4-3-5-10(14)13-15/h3-6,9,12,16H,2,7-8H2,1H3.
What are the key properties of 2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 236.27 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 43165995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).