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

C12H16F3N3O2 — CID 60717535

IUPACN-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C12H16F3N3O2/c1-7(8-2-3-8)18(6-12(13,14)15)11(20)9-4-5-10(19)17-16-9/h7-8H,2-6H2,1H3,(H,17,19)
InChIKeyCZICYRKLTVLRRX-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.44
Rot. Bonds4

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

N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 60717535) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID60717535
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC NameN-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C12H16F3N3O2/c1-7(8-2-3-8)18(6-12(13,14)15)11(20)9-4-5-10(19)17-16-9/h7-8H,2-6H2,1H3,(H,17,19)
InChIKeyCZICYRKLTVLRRX-UHFFFAOYSA-N
XLogP1.44
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

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-[3-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 60655820
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
6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61244307
N-methyl-6-oxo-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61381411
3-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 65532419

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 60717535) is N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is CC(C1CC1)N(CC(F)(F)F)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is CZICYRKLTVLRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-7(8-2-3-8)18(6-12(13,14)15)11(20)9-4-5-10(19)17-16-9/h7-8H,2-6H2,1H3,(H,17,19).
What are the key properties of N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 291.27 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 60717535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).