2-(cyclobutylmethyl)-6-methylpyridazin-3-one

C10H14N2O — CID 59803318

IUPAC2-(cyclobutylmethyl)-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCC2)n1
InChIInChI=1S/C10H14N2O/c1-8-5-6-10(13)12(11-8)7-9-3-2-4-9/h5-6,9H,2-4,7H2,1H3
InChIKeyZVKWNUVJFKCFAR-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.35
Rot. Bonds2

About 2-(cyclobutylmethyl)-6-methylpyridazin-3-one

2-(cyclobutylmethyl)-6-methylpyridazin-3-one (PubChem CID 59803318) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-6-methylpyridazin-3-one
PubChem CID59803318
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-(cyclobutylmethyl)-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCC2)n1
InChIInChI=1S/C10H14N2O/c1-8-5-6-10(13)12(11-8)7-9-3-2-4-9/h5-6,9H,2-4,7H2,1H3
InChIKeyZVKWNUVJFKCFAR-UHFFFAOYSA-N
XLogP1.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-6-methylpyridazin-3-one?
The IUPAC name of 2-(cyclobutylmethyl)-6-methylpyridazin-3-one (CID 59803318) is 2-(cyclobutylmethyl)-6-methylpyridazin-3-one.
What is the SMILES notation for 2-(cyclobutylmethyl)-6-methylpyridazin-3-one?
The canonical SMILES for 2-(cyclobutylmethyl)-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC2CCC2)n1.
What is the InChIKey of 2-(cyclobutylmethyl)-6-methylpyridazin-3-one?
The InChIKey is ZVKWNUVJFKCFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8-5-6-10(13)12(11-8)7-9-3-2-4-9/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 2-(cyclobutylmethyl)-6-methylpyridazin-3-one?
2-(cyclobutylmethyl)-6-methylpyridazin-3-one has a molecular weight of 178.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-6-methylpyridazin-3-one is sourced from PubChem (CID 59803318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).