5-(2,2-dimethylpropyl)-2-methylpyridazin-3-one

C10H16N2O — CID 130469746

IUPAC5-(2,2-dimethylpropyl)-2-methylpyridazin-3-one
SMILESCn1ncc(CC(C)(C)C)cc1=O
InChIInChI=1S/C10H16N2O/c1-10(2,3)6-8-5-9(13)12(4)11-7-8/h5,7H,6H2,1-4H3
InChIKeyLBHOPNLYPNCJMF-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.37
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-2-methylpyridazin-3-one

5-(2,2-dimethylpropyl)-2-methylpyridazin-3-one (PubChem CID 130469746) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-2-methylpyridazin-3-one
PubChem CID130469746
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-(2,2-dimethylpropyl)-2-methylpyridazin-3-one
SMILESCn1ncc(CC(C)(C)C)cc1=O
InChIInChI=1S/C10H16N2O/c1-10(2,3)6-8-5-9(13)12(4)11-7-8/h5,7H,6H2,1-4H3
InChIKeyLBHOPNLYPNCJMF-UHFFFAOYSA-N
XLogP1.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-2-methylpyridazin-3-one?
The IUPAC name of 5-(2,2-dimethylpropyl)-2-methylpyridazin-3-one (CID 130469746) is 5-(2,2-dimethylpropyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-2-methylpyridazin-3-one?
The canonical SMILES for 5-(2,2-dimethylpropyl)-2-methylpyridazin-3-one is Cn1ncc(CC(C)(C)C)cc1=O.
What is the InChIKey of 5-(2,2-dimethylpropyl)-2-methylpyridazin-3-one?
The InChIKey is LBHOPNLYPNCJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-10(2,3)6-8-5-9(13)12(4)11-7-8/h5,7H,6H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpropyl)-2-methylpyridazin-3-one?
5-(2,2-dimethylpropyl)-2-methylpyridazin-3-one has a molecular weight of 180.25 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 130469746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).