1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C12H14ClF3N4O2 — CID 133326854

IUPAC1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(c2cn[nH]c(=O)c2Cl)C1
InChIInChI=1S/C12H14ClF3N4O2/c13-9-8(4-18-19-11(9)22)20-3-1-2-7(5-20)10(21)17-6-12(14,15)16/h4,7H,1-3,5-6H2,(H,17,21)(H,19,22)
InChIKeyWYVITOABKXSBPV-UHFFFAOYSA-N
MW338.72 g/mol
LogP1.32
Rot. Bonds3

About 1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 133326854) has the molecular formula C12H14ClF3N4O2 and a molecular weight of 338.72 g/mol. Its IUPAC name is 1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID133326854
Molecular FormulaC12H14ClF3N4O2
Molecular Weight338.72 g/mol
Exact Mass338.08
IUPAC Name1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(c2cn[nH]c(=O)c2Cl)C1
InChIInChI=1S/C12H14ClF3N4O2/c13-9-8(4-18-19-11(9)22)20-3-1-2-7(5-20)10(21)17-6-12(14,15)16/h4,7H,1-3,5-6H2,(H,17,21)(H,19,22)
InChIKeyWYVITOABKXSBPV-UHFFFAOYSA-N
XLogP1.32
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.72
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

1-(5,7,8,10,11-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 140686244
(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94796058
1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 47066461
5-chloro-4-(4-methylazepan-1-yl)-1H-pyridazin-6-one
CID 71935982
1-(3-fluoro-2-nitrophenyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133326877
5-chloro-4-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyridazin-6-one
CID 80746634
5-chloro-4-[3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-1-yl]-1H-pyridazin-6-one;2,2,2-trifluoroacetic acid
CID 154844709
[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-[(1R)-2-(1,1-difluoroethyl)cyclopentyl]carbamate
CID 156563079
1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 123985967
N,N-dimethyl-6-[3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
CID 133331661
1-(4-nitrophenyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133331690
tert-butyl N-[(3S)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamate
CID 133380878

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 133326854) is 1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCC(F)(F)F)C1CCCN(c2cn[nH]c(=O)c2Cl)C1.
What is the InChIKey of 1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is WYVITOABKXSBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N4O2/c13-9-8(4-18-19-11(9)22)20-3-1-2-7(5-20)10(21)17-6-12(14,15)16/h4,7H,1-3,5-6H2,(H,17,21)(H,19,22).
What are the key properties of 1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 338.72 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 133326854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).