1-methyl-6-oxo-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridazine-3-carboxamide

C13H11F3N4O2 — CID 77095074

IUPAC1-methyl-6-oxo-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC(c2ccccn2)C(F)(F)F)ccc1=O
InChIInChI=1S/C13H11F3N4O2/c1-20-10(21)6-5-9(19-20)12(22)18-11(13(14,15)16)8-4-2-3-7-17-8/h2-7,11H,1H3,(H,18,22)
InChIKeyPREJCBWTKDCFGH-UHFFFAOYSA-N
MW312.25 g/mol
LogP1.21
Rot. Bonds3

About 1-methyl-6-oxo-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridazine-3-carboxamide

1-methyl-6-oxo-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridazine-3-carboxamide (PubChem CID 77095074) has the molecular formula C13H11F3N4O2 and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridazine-3-carboxamide
PubChem CID77095074
Molecular FormulaC13H11F3N4O2
Molecular Weight312.25 g/mol
Exact Mass312.08
IUPAC Name1-methyl-6-oxo-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC(c2ccccn2)C(F)(F)F)ccc1=O
InChIInChI=1S/C13H11F3N4O2/c1-20-10(21)6-5-9(19-20)12(22)18-11(13(14,15)16)8-4-2-3-7-17-8/h2-7,11H,1H3,(H,18,22)
InChIKeyPREJCBWTKDCFGH-UHFFFAOYSA-N
XLogP1.21
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(2-methylpropyl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazole-5-carboxamide
CID 97113328
1-methyl-3-(2-methylpropyl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazole-5-carboxamide
CID 97113329
1-ethyl-3-propan-2-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 77083070
4-(1,2,4-triazol-4-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]benzamide
CID 99949555
1-cyclohexyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)triazole-4-carboxamide
CID 45234511
1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42161810
N-[1-(2-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 17429467
N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 81041108
N-[(1R)-2-hydroxy-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103772693
N-[(2S)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 96526002
N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 42443185
2-benzyl-3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 139013521

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridazine-3-carboxamide (CID 77095074) is 1-methyl-6-oxo-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridazine-3-carboxamide is Cn1nc(C(=O)NC(c2ccccn2)C(F)(F)F)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridazine-3-carboxamide?
The InChIKey is PREJCBWTKDCFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O2/c1-20-10(21)6-5-9(19-20)12(22)18-11(13(14,15)16)8-4-2-3-7-17-8/h2-7,11H,1H3,(H,18,22).
What are the key properties of 1-methyl-6-oxo-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridazine-3-carboxamide?
1-methyl-6-oxo-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridazine-3-carboxamide has a molecular weight of 312.25 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 77095074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).