1-methyl-6-oxo-N-(2-thiophen-2-ylethyl)-4,5-dihydropyridazine-3-carboxamide

C12H15N3O2S — CID 24628335

IUPAC1-methyl-6-oxo-N-(2-thiophen-2-ylethyl)-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCCc2cccs2)CCC1=O
InChIInChI=1S/C12H15N3O2S/c1-15-11(16)5-4-10(14-15)12(17)13-7-6-9-3-2-8-18-9/h2-3,8H,4-7H2,1H3,(H,13,17)
InChIKeyRQFFDSFGHVBOAH-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.01
Rot. Bonds4

About 1-methyl-6-oxo-N-(2-thiophen-2-ylethyl)-4,5-dihydropyridazine-3-carboxamide

1-methyl-6-oxo-N-(2-thiophen-2-ylethyl)-4,5-dihydropyridazine-3-carboxamide (PubChem CID 24628335) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(2-thiophen-2-ylethyl)-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(2-thiophen-2-ylethyl)-4,5-dihydropyridazine-3-carboxamide
PubChem CID24628335
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name1-methyl-6-oxo-N-(2-thiophen-2-ylethyl)-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCCc2cccs2)CCC1=O
InChIInChI=1S/C12H15N3O2S/c1-15-11(16)5-4-10(14-15)12(17)13-7-6-9-3-2-8-18-9/h2-3,8H,4-7H2,1H3,(H,13,17)
InChIKeyRQFFDSFGHVBOAH-UHFFFAOYSA-N
XLogP1.01
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 24540154
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 9396044
N-(furan-2-ylmethyl)-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide
CID 51074060
1-methyl-6-oxo-N-pentyl-4,5-dihydropyridazine-3-carboxamide
CID 30384665
1-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24552976
N-[3-[benzyl(methyl)amino]propyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 46516631
1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 45497207
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide
CID 110765387
5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51072498
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30520689
N-(3-benzylsulfonylpropyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55841818
1-methyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 114618304

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(2-thiophen-2-ylethyl)-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(2-thiophen-2-ylethyl)-4,5-dihydropyridazine-3-carboxamide (CID 24628335) is 1-methyl-6-oxo-N-(2-thiophen-2-ylethyl)-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(2-thiophen-2-ylethyl)-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(2-thiophen-2-ylethyl)-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)NCCc2cccs2)CCC1=O.
What is the InChIKey of 1-methyl-6-oxo-N-(2-thiophen-2-ylethyl)-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is RQFFDSFGHVBOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-15-11(16)5-4-10(14-15)12(17)13-7-6-9-3-2-8-18-9/h2-3,8H,4-7H2,1H3,(H,13,17).
What are the key properties of 1-methyl-6-oxo-N-(2-thiophen-2-ylethyl)-4,5-dihydropyridazine-3-carboxamide?
1-methyl-6-oxo-N-(2-thiophen-2-ylethyl)-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.01, 4 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-thiophen-2-ylethyl)-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 24628335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).