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

C10H14F3N3O2 — CID 60960208

IUPAC6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C10H14F3N3O2/c1-6(2)16(5-10(11,12)13)9(18)7-3-4-8(17)15-14-7/h6H,3-5H2,1-2H3,(H,15,17)
InChIKeyPLTUSSBSKGSNMT-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.70
Rot. Bonds3

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

6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 60960208) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID60960208
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C10H14F3N3O2/c1-6(2)16(5-10(11,12)13)9(18)7-3-4-8(17)15-14-7/h6H,3-5H2,1-2H3,(H,15,17)
InChIKeyPLTUSSBSKGSNMT-UHFFFAOYSA-N
XLogP0.70
TPSA61.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity377

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60717535

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 60960208) is 6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is CC(C)N(CC(F)(F)F)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of 6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is PLTUSSBSKGSNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-6(2)16(5-10(11,12)13)9(18)7-3-4-8(17)15-14-7/h6H,3-5H2,1-2H3,(H,15,17).
What are the key properties of 6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 265.23 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 60960208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).