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

C10H12F3N3O2 — CID 55009427

IUPACN-cyclopropyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)N(CC(F)(F)F)C2CC2)=NN1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)5-16(6-1-2-6)9(18)7-3-4-8(17)15-14-7/h6H,1-5H2,(H,15,17)
InChIKeyMAXCJEGBXDSGQB-UHFFFAOYSA-N
MW263.22 g/mol
LogP0.81
Rot. Bonds3

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

N-cyclopropyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 55009427) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is N-cyclopropyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID55009427
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC NameN-cyclopropyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)N(CC(F)(F)F)C2CC2)=NN1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)5-16(6-1-2-6)9(18)7-3-4-8(17)15-14-7/h6H,1-5H2,(H,15,17)
InChIKeyMAXCJEGBXDSGQB-UHFFFAOYSA-N
XLogP0.81
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
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-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
N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60890284
N-[2-(dimethylamino)-2-oxoethyl]-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60958669
6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60958904

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 55009427) is N-cyclopropyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)N(CC(F)(F)F)C2CC2)=NN1.
What is the InChIKey of N-cyclopropyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is MAXCJEGBXDSGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)5-16(6-1-2-6)9(18)7-3-4-8(17)15-14-7/h6H,1-5H2,(H,15,17).
What are the key properties of N-cyclopropyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-cyclopropyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 263.22 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 55009427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).