4,5-dimethyl-2-propan-2-ylpyridazin-3-one

C9H14N2O — CID 58336857

IUPAC4,5-dimethyl-2-propan-2-ylpyridazin-3-one
SMILESCc1cnn(C(C)C)c(=O)c1C
InChIInChI=1S/C9H14N2O/c1-6(2)11-9(12)8(4)7(3)5-10-11/h5-6H,1-4H3
InChIKeyXYJZFTYIIPHQOU-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.44
Rot. Bonds1

About 4,5-dimethyl-2-propan-2-ylpyridazin-3-one

4,5-dimethyl-2-propan-2-ylpyridazin-3-one (PubChem CID 58336857) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4,5-dimethyl-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4,5-dimethyl-2-propan-2-ylpyridazin-3-one
PubChem CID58336857
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4,5-dimethyl-2-propan-2-ylpyridazin-3-one
SMILESCc1cnn(C(C)C)c(=O)c1C
InChIInChI=1S/C9H14N2O/c1-6(2)11-9(12)8(4)7(3)5-10-11/h5-6H,1-4H3
InChIKeyXYJZFTYIIPHQOU-UHFFFAOYSA-N
XLogP1.44
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 4,5-dimethyl-2-propan-2-ylpyridazin-3-one (CID 58336857) is 4,5-dimethyl-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4,5-dimethyl-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4,5-dimethyl-2-propan-2-ylpyridazin-3-one is Cc1cnn(C(C)C)c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-propan-2-ylpyridazin-3-one?
The InChIKey is XYJZFTYIIPHQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(2)11-9(12)8(4)7(3)5-10-11/h5-6H,1-4H3.
What are the key properties of 4,5-dimethyl-2-propan-2-ylpyridazin-3-one?
4,5-dimethyl-2-propan-2-ylpyridazin-3-one has a molecular weight of 166.22 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 58336857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).