ethane;2-methylpyridazin-3-one

C7H12N2O — CID 91017747

IUPACethane;2-methylpyridazin-3-one
SMILESCC.Cn1ncccc1=O
InChIInChI=1S/C5H6N2O.C2H6/c1-7-5(8)3-2-4-6-7;1-2/h2-4H,1H3;1-2H3
InChIKeyFUZDHUWJWAMENM-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.81
Rot. Bonds

About ethane;2-methylpyridazin-3-one

ethane;2-methylpyridazin-3-one (PubChem CID 91017747) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is ethane;2-methylpyridazin-3-one.

Molecular Properties

Compound Nameethane;2-methylpyridazin-3-one
PubChem CID91017747
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Nameethane;2-methylpyridazin-3-one
SMILESCC.Cn1ncccc1=O
InChIInChI=1S/C5H6N2O.C2H6/c1-7-5(8)3-2-4-6-7;1-2/h2-4H,1H3;1-2H3
InChIKeyFUZDHUWJWAMENM-UHFFFAOYSA-N
XLogP0.81
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methylpyridazin-3(2H)-one
CID 12200169
5-Iodo-2-methyl-2,3-dihydropyridazin-3-one
CID 11230092
2-t-Butyl-2h-pyridazin-3-one
CID 12778309
2,5-Dimethyl-2,3-dihydropyridazin-3-one
CID 12200173
3(2H)-Pyridazinone, 2-(2-propenyl)-
CID 12237248
2-Vinyl-3-pyridazone
CID 12346431
2-Cyanopyridazin-3(2h)-one
CID 87149145
6-Fluoro-2-methylpyridazin-3(2H)-one
CID 19788615
2-(2,2,2-Trifluoroethyl)-2,3-dihydropyridazin-3-one
CID 91321894
2-(Fluoromethyl)pyridazin-3-one
CID 140988504
2-(2-Fluoroethyl)pyridazin-3-one
CID 173672755
2-(1,2,2-Trifluoroethyl)pyridazin-3-one
CID 174406516

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpyridazin-3-one?
The IUPAC name of ethane;2-methylpyridazin-3-one (CID 91017747) is ethane;2-methylpyridazin-3-one.
What is the SMILES notation for ethane;2-methylpyridazin-3-one?
The canonical SMILES for ethane;2-methylpyridazin-3-one is CC.Cn1ncccc1=O.
What is the InChIKey of ethane;2-methylpyridazin-3-one?
The InChIKey is FUZDHUWJWAMENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.C2H6/c1-7-5(8)3-2-4-6-7;1-2/h2-4H,1H3;1-2H3.
What are the key properties of ethane;2-methylpyridazin-3-one?
ethane;2-methylpyridazin-3-one has a molecular weight of 140.19 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpyridazin-3-one is sourced from PubChem (CID 91017747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).