3-(6-oxo-1H-pyridazin-3-yl)-N-(3,3,3-trifluoropropyl)propanamide

C10H12F3N3O2 — CID 118787494

IUPAC3-(6-oxo-1H-pyridazin-3-yl)-N-(3,3,3-trifluoropropyl)propanamide
SMILESO=C(CCc1ccc(=O)[nH]n1)NCCC(F)(F)F
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)5-6-14-8(17)3-1-7-2-4-9(18)16-15-7/h2,4H,1,3,5-6H2,(H,14,17)(H,16,18)
InChIKeyCLLVFJCEIGCPFT-UHFFFAOYSA-N
MW263.22 g/mol
LogP0.77
Rot. Bonds5

About 3-(6-oxo-1H-pyridazin-3-yl)-N-(3,3,3-trifluoropropyl)propanamide

3-(6-oxo-1H-pyridazin-3-yl)-N-(3,3,3-trifluoropropyl)propanamide (PubChem CID 118787494) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 3-(6-oxo-1H-pyridazin-3-yl)-N-(3,3,3-trifluoropropyl)propanamide.

Molecular Properties

Compound Name3-(6-oxo-1H-pyridazin-3-yl)-N-(3,3,3-trifluoropropyl)propanamide
PubChem CID118787494
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name3-(6-oxo-1H-pyridazin-3-yl)-N-(3,3,3-trifluoropropyl)propanamide
SMILESO=C(CCc1ccc(=O)[nH]n1)NCCC(F)(F)F
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)5-6-14-8(17)3-1-7-2-4-9(18)16-15-7/h2,4H,1,3,5-6H2,(H,14,17)(H,16,18)
InChIKeyCLLVFJCEIGCPFT-UHFFFAOYSA-N
XLogP0.77
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 45893393
2,2,2-trifluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]acetamide
CID 133675039
2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide
CID 170266150
6-oxo-N-(2,2,2-trifluoroethyl)-1,6-dihydropyridazine-3-carboxamide
CID 37067126
6-oxo-1-propyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 45794092
1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 51166533
1-butyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 78786042
6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridazine-3-carboxamide
CID 103528798
6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridazine-3-carboxamide
CID 103709585
6-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridazine-3-carboxamide
CID 103713365
N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103714909
6-oxo-N-(4,4,4-trifluorobutan-2-yl)-1H-pyridazine-3-carboxamide
CID 104854846

Frequently Asked Questions

What is the IUPAC name of 3-(6-oxo-1H-pyridazin-3-yl)-N-(3,3,3-trifluoropropyl)propanamide?
The IUPAC name of 3-(6-oxo-1H-pyridazin-3-yl)-N-(3,3,3-trifluoropropyl)propanamide (CID 118787494) is 3-(6-oxo-1H-pyridazin-3-yl)-N-(3,3,3-trifluoropropyl)propanamide.
What is the SMILES notation for 3-(6-oxo-1H-pyridazin-3-yl)-N-(3,3,3-trifluoropropyl)propanamide?
The canonical SMILES for 3-(6-oxo-1H-pyridazin-3-yl)-N-(3,3,3-trifluoropropyl)propanamide is O=C(CCc1ccc(=O)[nH]n1)NCCC(F)(F)F.
What is the InChIKey of 3-(6-oxo-1H-pyridazin-3-yl)-N-(3,3,3-trifluoropropyl)propanamide?
The InChIKey is CLLVFJCEIGCPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)5-6-14-8(17)3-1-7-2-4-9(18)16-15-7/h2,4H,1,3,5-6H2,(H,14,17)(H,16,18).
What are the key properties of 3-(6-oxo-1H-pyridazin-3-yl)-N-(3,3,3-trifluoropropyl)propanamide?
3-(6-oxo-1H-pyridazin-3-yl)-N-(3,3,3-trifluoropropyl)propanamide has a molecular weight of 263.22 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxo-1H-pyridazin-3-yl)-N-(3,3,3-trifluoropropyl)propanamide is sourced from PubChem (CID 118787494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).