4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide

C12H11N3O2 — CID 175811196

IUPAC4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)n(-c2ccccc2)nc1C(N)=O
InChIInChI=1S/C12H11N3O2/c1-8-7-10(16)15(14-11(8)12(13)17)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,17)
InChIKeySKWUSEGKVKUEJS-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.64
Rot. Bonds2

About 4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide

4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 175811196) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID175811196
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)n(-c2ccccc2)nc1C(N)=O
InChIInChI=1S/C12H11N3O2/c1-8-7-10(16)15(14-11(8)12(13)17)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,17)
InChIKeySKWUSEGKVKUEJS-UHFFFAOYSA-N
XLogP0.64
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid
CID 169228604
ethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate
CID 54708408
1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 54687297
5-methyl-1-phenylpyrazole-3-carboxamide
CID 68896199
1-(6-imino-4-methyl-1-phenylpyridazin-3-yl)ethanone
CID 23659234
ethane;6-methyl-3-oxo-2-phenylpyridazine-4-carboxamide
CID 143678267
4-[(1R)-1-[3-(1,1-difluoro-2-hydroxyethyl)phenyl]ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 175582959
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 9147641
1-(4-carbamoylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 11543623
ethyl 6-oxo-1-phenyl-4-[[(1S)-1-phenylethyl]amino]pyridazine-3-carboxylate
CID 27646514
ethyl 6-oxo-1-phenyl-4-(2-phenylethylamino)pyridazine-3-carboxylate
CID 18571442
ethyl 4-[(2-methoxyacetyl)amino]-6-oxo-1-phenylpyridazine-3-carboxylate
CID 16839304

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of 4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide (CID 175811196) is 4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for 4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide is Cc1cc(=O)n(-c2ccccc2)nc1C(N)=O.
What is the InChIKey of 4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is SKWUSEGKVKUEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-8-7-10(16)15(14-11(8)12(13)17)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,17).
What are the key properties of 4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide?
4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 175811196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).