N-[2-(dimethylamino)-2-oxoethyl]-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

C11H15F3N4O3 — CID 60958669

IUPACN-[2-(dimethylamino)-2-oxoethyl]-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C11H15F3N4O3/c1-17(2)9(20)5-18(6-11(12,13)14)10(21)7-3-4-8(19)16-15-7/h3-6H2,1-2H3,(H,16,19)
InChIKeyVAWLHBUIFYNSOV-UHFFFAOYSA-N
MW308.26 g/mol
LogP-0.27
Rot. Bonds4

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

N-[2-(dimethylamino)-2-oxoethyl]-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 60958669) has the molecular formula C11H15F3N4O3 and a molecular weight of 308.26 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID60958669
Molecular FormulaC11H15F3N4O3
Molecular Weight308.26 g/mol
Exact Mass308.11
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C11H15F3N4O3/c1-17(2)9(20)5-18(6-11(12,13)14)10(21)7-3-4-8(19)16-15-7/h3-6H2,1-2H3,(H,16,19)
InChIKeyVAWLHBUIFYNSOV-UHFFFAOYSA-N
XLogP-0.27
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(3-Methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetohydrazide
CID 55264971
6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397965
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-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-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 60712235
N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60890284
6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60958904
6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60959739
6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60960208
N-methyl-6-oxo-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61381411

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 60958669) is N-[2-(dimethylamino)-2-oxoethyl]-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is VAWLHBUIFYNSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O3/c1-17(2)9(20)5-18(6-11(12,13)14)10(21)7-3-4-8(19)16-15-7/h3-6H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 308.26 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 60958669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).