1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide

C8H8F3N3O2 — CID 51166533

IUPAC1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC(F)(F)F)ccc1=O
InChIInChI=1S/C8H8F3N3O2/c1-14-6(15)3-2-5(13-14)7(16)12-4-8(9,10)11/h2-3H,4H2,1H3,(H,12,16)
InChIKeyQSACIUCDSHIJKE-UHFFFAOYSA-N
MW235.16 g/mol
LogP0.07
Rot. Bonds2

About 1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide

1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (PubChem CID 51166533) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
PubChem CID51166533
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC(F)(F)F)ccc1=O
InChIInChI=1S/C8H8F3N3O2/c1-14-6(15)3-2-5(13-14)7(16)12-4-8(9,10)11/h2-3H,4H2,1H3,(H,12,16)
InChIKeyQSACIUCDSHIJKE-UHFFFAOYSA-N
XLogP0.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Methyl-6-oxopyridazin-1(6H)-yl)propanamide
CID 12787584
N-isopropyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443181
N-[2-(dimethylamino)ethyl]-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443194
N-(3-methoxypropyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 44012303
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 45893393
N-cyclobutyl-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 132383259
2-(2,2-Difluoroethyl)-6-methylpyridazin-3-one
CID 59803335
2,2,2-trifluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]acetamide
CID 133675039
6-Ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 142603797
2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide
CID 170266150
6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridazine-3-carboxamide
CID 36275037
6-oxo-N-(2,2,2-trifluoroethyl)-1,6-dihydropyridazine-3-carboxamide
CID 37067126

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (CID 51166533) is 1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is Cn1nc(C(=O)NCC(F)(F)F)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The InChIKey is QSACIUCDSHIJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c1-14-6(15)3-2-5(13-14)7(16)12-4-8(9,10)11/h2-3H,4H2,1H3,(H,12,16).
What are the key properties of 1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide has a molecular weight of 235.16 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 51166533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).