6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

C10H14F3N3O2 — CID 60958904

IUPAC6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C10H14F3N3O2/c1-2-5-16(6-10(11,12)13)9(18)7-3-4-8(17)15-14-7/h2-6H2,1H3,(H,15,17)
InChIKeyPZHYZURXBJTDLD-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.05
Rot. Bonds4

About 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 60958904) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID60958904
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C10H14F3N3O2/c1-2-5-16(6-10(11,12)13)9(18)7-3-4-8(17)15-14-7/h2-6H2,1H3,(H,15,17)
InChIKeyPZHYZURXBJTDLD-UHFFFAOYSA-N
XLogP1.05
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide
CID 47014189
2,2,2-trifluoro-N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]acetamide
CID 134560848
6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397965
1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide
CID 45799868
N-butyl-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide
CID 52638046
N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 54876874
N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 54876946
N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 54877508
N-cyclopropyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 55009427
N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 55010148
3-[3-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 60655820
3-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 60712235

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 60958904) is 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is CCCN(CC(F)(F)F)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is PZHYZURXBJTDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-2-5-16(6-10(11,12)13)9(18)7-3-4-8(17)15-14-7/h2-6H2,1H3,(H,15,17).
What are the key properties of 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 265.23 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 60958904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).