6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide

C12H17F3N4O2 — CID 61244307

IUPAC6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCC2CCN(CC(F)(F)F)C2)=NN1
InChIInChI=1S/C12H17F3N4O2/c13-12(14,15)7-19-4-3-8(6-19)5-16-11(21)9-1-2-10(20)18-17-9/h8H,1-7H2,(H,16,21)(H,18,20)
InChIKeyHZZIULKUYPDXEV-UHFFFAOYSA-N
MW306.29 g/mol
LogP0.25
Rot. Bonds4

About 6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide

6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 61244307) has the molecular formula C12H17F3N4O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is 6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID61244307
Molecular FormulaC12H17F3N4O2
Molecular Weight306.29 g/mol
Exact Mass306.13
IUPAC Name6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCC2CCN(CC(F)(F)F)C2)=NN1
InChIInChI=1S/C12H17F3N4O2/c13-12(14,15)7-19-4-3-8(6-19)5-16-11(21)9-1-2-10(20)18-17-9/h8H,1-7H2,(H,16,21)(H,18,20)
InChIKeyHZZIULKUYPDXEV-UHFFFAOYSA-N
XLogP0.25
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide with MolForge

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Related Compounds

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 45819076
N-({(2S,4S)-4-fluoro-1-[(6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)carbonyl]pyrrolidin-2-yl}methyl)-3,3-dimethylbutanamide
CID 70765674
N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 54876946
N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60717535
6-oxo-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 63227741
6-oxo-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 79039623
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 100904017
N-(3-amino-2,2-difluoropropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108115218
6-oxo-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 115491616
(3S,4S)-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120949533
1-(2-hydroxyethyl)-6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydropyridazine-3-carboxamide
CID 136518894
6-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43400604

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 61244307) is 6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NCC2CCN(CC(F)(F)F)C2)=NN1.
What is the InChIKey of 6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is HZZIULKUYPDXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2/c13-12(14,15)7-19-4-3-8(6-19)5-16-11(21)9-1-2-10(20)18-17-9/h8H,1-7H2,(H,16,21)(H,18,20).
What are the key properties of 6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 306.29 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 61244307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).