ethane;6-methyl-3-oxo-2-phenylpyridazine-4-carboxamide

C14H17N3O2 — CID 143678267

IUPACethane;6-methyl-3-oxo-2-phenylpyridazine-4-carboxamide
SMILESCC.Cc1cc(C(N)=O)c(=O)n(-c2ccccc2)n1
InChIInChI=1S/C12H11N3O2.C2H6/c1-8-7-10(11(13)16)12(17)15(14-8)9-5-3-2-4-6-9;1-2/h2-7H,1H3,(H2,13,16);1-2H3
InChIKeyCBZBOBSDMKIMKF-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.67
Rot. Bonds2

About ethane;6-methyl-3-oxo-2-phenylpyridazine-4-carboxamide

ethane;6-methyl-3-oxo-2-phenylpyridazine-4-carboxamide (PubChem CID 143678267) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethane;6-methyl-3-oxo-2-phenylpyridazine-4-carboxamide.

Molecular Properties

Compound Nameethane;6-methyl-3-oxo-2-phenylpyridazine-4-carboxamide
PubChem CID143678267
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Nameethane;6-methyl-3-oxo-2-phenylpyridazine-4-carboxamide
SMILESCC.Cc1cc(C(N)=O)c(=O)n(-c2ccccc2)n1
InChIInChI=1S/C12H11N3O2.C2H6/c1-8-7-10(11(13)16)12(17)15(14-8)9-5-3-2-4-6-9;1-2/h2-7H,1H3,(H2,13,16);1-2H3
InChIKeyCBZBOBSDMKIMKF-UHFFFAOYSA-N
XLogP1.67
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methyl-3-oxo-2-phenylpyridazine-4-carbonyl)cyclohexane-1,3-dione
CID 86709264
5-methyl-1-phenylpyrazole-3-carboxamide
CID 68896199
2-(3,4-dichlorophenyl)-6-methyl-3-oxopyridazine-4-carboxylic acid
CID 97058328
(5-methyl-2-phenylpyrazol-3-yl) hydrogen carbonate
CID 175140326
4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 175811196
2-(2-chlorophenyl)-6-methyl-3-oxopyridazine-4-carboxylic acid
CID 97058359
(5-methyl-2-phenylpyrazol-3-yl) 2-methylpropanoate
CID 155801750
2-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
CID 63811010
ethyl 6-(2,2-dimethylpropanoyl)-3-oxo-2-phenylpyridazine-4-carboxylate
CID 100786022
5-chloro-3-methyl-1-phenylpyrazole
CID 2735771
(5-methyl-2-phenylpyrazol-3-yl)hydrazine
CID 55279869
5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 121222038

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-3-oxo-2-phenylpyridazine-4-carboxamide?
The IUPAC name of ethane;6-methyl-3-oxo-2-phenylpyridazine-4-carboxamide (CID 143678267) is ethane;6-methyl-3-oxo-2-phenylpyridazine-4-carboxamide.
What is the SMILES notation for ethane;6-methyl-3-oxo-2-phenylpyridazine-4-carboxamide?
The canonical SMILES for ethane;6-methyl-3-oxo-2-phenylpyridazine-4-carboxamide is CC.Cc1cc(C(N)=O)c(=O)n(-c2ccccc2)n1.
What is the InChIKey of ethane;6-methyl-3-oxo-2-phenylpyridazine-4-carboxamide?
The InChIKey is CBZBOBSDMKIMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2.C2H6/c1-8-7-10(11(13)16)12(17)15(14-8)9-5-3-2-4-6-9;1-2/h2-7H,1H3,(H2,13,16);1-2H3.
What are the key properties of ethane;6-methyl-3-oxo-2-phenylpyridazine-4-carboxamide?
ethane;6-methyl-3-oxo-2-phenylpyridazine-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-3-oxo-2-phenylpyridazine-4-carboxamide is sourced from PubChem (CID 143678267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).