5-ethenyl-2-methylpyridazin-3-one

C7H8N2O — CID 71418081

IUPAC5-ethenyl-2-methylpyridazin-3-one
SMILESC=Cc1cnn(C)c(=O)c1
InChIInChI=1S/C7H8N2O/c1-3-6-4-7(10)9(2)8-5-6/h3-5H,1H2,2H3
InChIKeyJBZMUIBSFQYAEL-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.42
Rot. Bonds1

About 5-ethenyl-2-methylpyridazin-3-one

5-ethenyl-2-methylpyridazin-3-one (PubChem CID 71418081) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 5-ethenyl-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-ethenyl-2-methylpyridazin-3-one
PubChem CID71418081
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name5-ethenyl-2-methylpyridazin-3-one
SMILESC=Cc1cnn(C)c(=O)c1
InChIInChI=1S/C7H8N2O/c1-3-6-4-7(10)9(2)8-5-6/h3-5H,1H2,2H3
InChIKeyJBZMUIBSFQYAEL-UHFFFAOYSA-N
XLogP0.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-methylpyridazin-3-one?
The IUPAC name of 5-ethenyl-2-methylpyridazin-3-one (CID 71418081) is 5-ethenyl-2-methylpyridazin-3-one.
What is the SMILES notation for 5-ethenyl-2-methylpyridazin-3-one?
The canonical SMILES for 5-ethenyl-2-methylpyridazin-3-one is C=Cc1cnn(C)c(=O)c1.
What is the InChIKey of 5-ethenyl-2-methylpyridazin-3-one?
The InChIKey is JBZMUIBSFQYAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-3-6-4-7(10)9(2)8-5-6/h3-5H,1H2,2H3.
What are the key properties of 5-ethenyl-2-methylpyridazin-3-one?
5-ethenyl-2-methylpyridazin-3-one has a molecular weight of 136.15 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methylpyridazin-3-one is sourced from PubChem (CID 71418081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).