1-(2,2-difluoroethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-propylurea

C15H21F2N5O2 — CID 100905189

IUPAC1-(2,2-difluoroethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-propylurea
SMILESCCCN(CC(F)F)C(=O)NCCCn1nc2ccccn2c1=O
InChIInChI=1S/C15H21F2N5O2/c1-2-8-20(11-12(16)17)14(23)18-7-5-10-22-15(24)21-9-4-3-6-13(21)19-22/h3-4,6,9,12H,2,5,7-8,10-11H2,1H3,(H,18,23)
InChIKeyYEDQODJKTYKAEG-UHFFFAOYSA-N
MW341.36 g/mol
LogP1.57
Rot. Bonds8

About 1-(2,2-difluoroethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-propylurea

1-(2,2-difluoroethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-propylurea (PubChem CID 100905189) has the molecular formula C15H21F2N5O2 and a molecular weight of 341.36 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-propylurea.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-propylurea
PubChem CID100905189
Molecular FormulaC15H21F2N5O2
Molecular Weight341.36 g/mol
Exact Mass341.17
IUPAC Name1-(2,2-difluoroethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-propylurea
SMILESCCCN(CC(F)F)C(=O)NCCCn1nc2ccccn2c1=O
InChIInChI=1S/C15H21F2N5O2/c1-2-8-20(11-12(16)17)14(23)18-7-5-10-22-15(24)21-9-4-3-6-13(21)19-22/h3-4,6,9,12H,2,5,7-8,10-11H2,1H3,(H,18,23)
InChIKeyYEDQODJKTYKAEG-UHFFFAOYSA-N
XLogP1.57
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2,2-difluoroethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-propylurea 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

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-(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-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 45807619
2,2,2-trifluoroethyl N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]carbamate
CID 47075729
2-[2-(2,2,2-Trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 55087933
N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-(trifluoromethylsulfanyl)acetamide
CID 56006313
N-butyl-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 60289105
N-(2-methylpropyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 60289144
2-[2-[Methyl(3,3,3-trifluoropropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 86842695

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-propylurea?
The IUPAC name of 1-(2,2-difluoroethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-propylurea (CID 100905189) is 1-(2,2-difluoroethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-propylurea.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-propylurea?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-propylurea is CCCN(CC(F)F)C(=O)NCCCn1nc2ccccn2c1=O.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-propylurea?
The InChIKey is YEDQODJKTYKAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N5O2/c1-2-8-20(11-12(16)17)14(23)18-7-5-10-22-15(24)21-9-4-3-6-13(21)19-22/h3-4,6,9,12H,2,5,7-8,10-11H2,1H3,(H,18,23).
What are the key properties of 1-(2,2-difluoroethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-propylurea?
1-(2,2-difluoroethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-propylurea has a molecular weight of 341.36 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-propylurea is sourced from PubChem (CID 100905189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).