ethene;3-methyl-1H-pyridazin-6-one

C7H10N2O — CID 143240493

IUPACethene;3-methyl-1H-pyridazin-6-one
SMILESC=C.Cc1ccc(=O)[nH]n1
InChIInChI=1S/C5H6N2O.C2H4/c1-4-2-3-5(8)7-6-4;1-2/h2-3H,1H3,(H,7,8);1-2H2
InChIKeyPWYOJHCNBITKLH-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.88
Rot. Bonds

About ethene;3-methyl-1H-pyridazin-6-one

ethene;3-methyl-1H-pyridazin-6-one (PubChem CID 143240493) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is ethene;3-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Nameethene;3-methyl-1H-pyridazin-6-one
PubChem CID143240493
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Nameethene;3-methyl-1H-pyridazin-6-one
SMILESC=C.Cc1ccc(=O)[nH]n1
InChIInChI=1S/C5H6N2O.C2H4/c1-4-2-3-5(8)7-6-4;1-2/h2-3H,1H3,(H,7,8);1-2H2
InChIKeyPWYOJHCNBITKLH-UHFFFAOYSA-N
XLogP0.88
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-methylpyridazin-3(2H)-one
CID 83346
Cetohexazine
CID 193965
6-Tert-butyl-2,3-dihydropyridazin-3-one
CID 2802164
4-Amino-6-methyl-2,3-dihydropyridazin-3-one
CID 853445
6-Oxo-1,6-dihydropyridazine-3-carbaldehyde
CID 37818559
5,6-Dimethylpyridazin-3-ol
CID 50987709
6-Oxo-1,6-dihydropyridazine-3-carboxamide
CID 5245628
6-Methylpyridazin-3(2H)-one monohydrobromide
CID 3024166
6-Oxo-1,6-dihydropyridazine-3-carbonitrile
CID 22636611
6-Isopropyl-3-pyridazinone
CID 23028147
6-Ethyl-3-pyridazinone
CID 23519182
6-(Trifluoromethyl)-2,3-dihydropyridazin-3-one
CID 33698298

Frequently Asked Questions

What is the IUPAC name of ethene;3-methyl-1H-pyridazin-6-one?
The IUPAC name of ethene;3-methyl-1H-pyridazin-6-one (CID 143240493) is ethene;3-methyl-1H-pyridazin-6-one.
What is the SMILES notation for ethene;3-methyl-1H-pyridazin-6-one?
The canonical SMILES for ethene;3-methyl-1H-pyridazin-6-one is C=C.Cc1ccc(=O)[nH]n1.
What is the InChIKey of ethene;3-methyl-1H-pyridazin-6-one?
The InChIKey is PWYOJHCNBITKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.C2H4/c1-4-2-3-5(8)7-6-4;1-2/h2-3H,1H3,(H,7,8);1-2H2.
What are the key properties of ethene;3-methyl-1H-pyridazin-6-one?
ethene;3-methyl-1H-pyridazin-6-one has a molecular weight of 138.17 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;3-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 143240493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).