1-(6-imino-4-methyl-1-phenylpyridazin-3-yl)ethanone

C13H13N3O — CID 23659234

IUPAC1-(6-imino-4-methyl-1-phenylpyridazin-3-yl)ethanone
SMILES[H]/N=c1\cc(C)c(C(C)=O)nn1-c1ccccc1
InChIInChI=1S/C13H13N3O/c1-9-8-12(14)16(15-13(9)10(2)17)11-6-4-3-5-7-11/h3-8,14H,1-2H3/b14-12+
InChIKeyUQYPYFYNODYBBW-WYMLVPIESA-N
MW227.27 g/mol
LogP1.86
Rot. Bonds2

About 1-(6-imino-4-methyl-1-phenylpyridazin-3-yl)ethanone

1-(6-imino-4-methyl-1-phenylpyridazin-3-yl)ethanone (PubChem CID 23659234) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-(6-imino-4-methyl-1-phenylpyridazin-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-imino-4-methyl-1-phenylpyridazin-3-yl)ethanone
PubChem CID23659234
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name1-(6-imino-4-methyl-1-phenylpyridazin-3-yl)ethanone
SMILES[H]/N=c1\cc(C)c(C(C)=O)nn1-c1ccccc1
InChIInChI=1S/C13H13N3O/c1-9-8-12(14)16(15-13(9)10(2)17)11-6-4-3-5-7-11/h3-8,14H,1-2H3/b14-12+
InChIKeyUQYPYFYNODYBBW-WYMLVPIESA-N
XLogP1.86
TPSA58.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 175811196
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
4-methyl-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid
CID 169228604
5-methyl-1-phenylpyrazole-3-carboxamide
CID 68896199
N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 86909633
6-acetyl-5-hydroxy-2-phenyl-4-pyridin-1-ium-1-ylpyridazin-3-one
CID 134912932
1-(3-bromophenyl)-6-methyl-4-oxopyridazine-3-carboximidamide
CID 82422054
1-(5-methoxy-1-phenylpyrazol-3-yl)ethanone
CID 90129522
3-(azepane-1-carbonyl)-6-methyl-1-phenylpyridazin-4-one
CID 8869762
6-methyl-N-(4-methylpiperazin-1-yl)-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9075242
N-(3-aminopropyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide;hydrochloride
CID 119406647
(6-benzoyl-3-imino-2-phenylpyridazin-4-yl)-phenylmethanone
CID 633210

Frequently Asked Questions

What is the IUPAC name of 1-(6-imino-4-methyl-1-phenylpyridazin-3-yl)ethanone?
The IUPAC name of 1-(6-imino-4-methyl-1-phenylpyridazin-3-yl)ethanone (CID 23659234) is 1-(6-imino-4-methyl-1-phenylpyridazin-3-yl)ethanone.
What is the SMILES notation for 1-(6-imino-4-methyl-1-phenylpyridazin-3-yl)ethanone?
The canonical SMILES for 1-(6-imino-4-methyl-1-phenylpyridazin-3-yl)ethanone is [H]/N=c1\cc(C)c(C(C)=O)nn1-c1ccccc1.
What is the InChIKey of 1-(6-imino-4-methyl-1-phenylpyridazin-3-yl)ethanone?
The InChIKey is UQYPYFYNODYBBW-WYMLVPIESA-N. The full InChI is InChI=1S/C13H13N3O/c1-9-8-12(14)16(15-13(9)10(2)17)11-6-4-3-5-7-11/h3-8,14H,1-2H3/b14-12+.
What are the key properties of 1-(6-imino-4-methyl-1-phenylpyridazin-3-yl)ethanone?
1-(6-imino-4-methyl-1-phenylpyridazin-3-yl)ethanone has a molecular weight of 227.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imino-4-methyl-1-phenylpyridazin-3-yl)ethanone is sourced from PubChem (CID 23659234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).