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

C12H18N4O — CID 62040798

IUPAC2-[2-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCNC(CC)Cn1nc2ccccn2c1=O
InChIInChI=1S/C12H18N4O/c1-3-10(13-4-2)9-16-12(17)15-8-6-5-7-11(15)14-16/h5-8,10,13H,3-4,9H2,1-2H3
InChIKeyJUWYQTFAMLXFQM-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.88
Rot. Bonds5

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

2-[2-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 62040798) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[2-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID62040798
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[2-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCNC(CC)Cn1nc2ccccn2c1=O
InChIInChI=1S/C12H18N4O/c1-3-10(13-4-2)9-16-12(17)15-8-6-5-7-11(15)14-16/h5-8,10,13H,3-4,9H2,1-2H3
InChIKeyJUWYQTFAMLXFQM-UHFFFAOYSA-N
XLogP0.88
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(ethylamino)butyl]-[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

Related Compounds

N-cyclopropyl-2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetamide
CID 42954916
1-Butan-2-yl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 47092526
1-Ethyl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 47481211
2-(3-aminopropyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43184095
2-(2-aminoethyl)-2H,3H-(1,2,4)triazolo(4,3-a)pyridin-3-one
CID 43184083
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43752801
2-(4-Amino-1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43753219
2-[2-(2,2,2-Trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 55087933
1-(2,2-Difluoroethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-propylurea
CID 100905189
2-Piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 84038333
2-[2-(Dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane
CID 142034308
2-Pentan-2-yl-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 146183895

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 62040798) is 2-[2-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCNC(CC)Cn1nc2ccccn2c1=O.
What is the InChIKey of 2-[2-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is JUWYQTFAMLXFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-3-10(13-4-2)9-16-12(17)15-8-6-5-7-11(15)14-16/h5-8,10,13H,3-4,9H2,1-2H3.
What are the key properties of 2-[2-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 234.30 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 62040798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).