6-tert-butyl-2,4-dimethylpyridazin-3-one

C10H16N2O — CID 58499036

IUPAC6-tert-butyl-2,4-dimethylpyridazin-3-one
SMILESCc1cc(C(C)(C)C)nn(C)c1=O
InChIInChI=1S/C10H16N2O/c1-7-6-8(10(2,3)4)11-12(5)9(7)13/h6H,1-5H3
InChIKeyVQKYLOHIHZUECR-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.39
Rot. Bonds

About 6-tert-butyl-2,4-dimethylpyridazin-3-one

6-tert-butyl-2,4-dimethylpyridazin-3-one (PubChem CID 58499036) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 6-tert-butyl-2,4-dimethylpyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2,4-dimethylpyridazin-3-one
PubChem CID58499036
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name6-tert-butyl-2,4-dimethylpyridazin-3-one
SMILESCc1cc(C(C)(C)C)nn(C)c1=O
InChIInChI=1S/C10H16N2O/c1-7-6-8(10(2,3)4)11-12(5)9(7)13/h6H,1-5H3
InChIKeyVQKYLOHIHZUECR-UHFFFAOYSA-N
XLogP1.39
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,4-dimethylpyridazin-3-one?
The IUPAC name of 6-tert-butyl-2,4-dimethylpyridazin-3-one (CID 58499036) is 6-tert-butyl-2,4-dimethylpyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2,4-dimethylpyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2,4-dimethylpyridazin-3-one is Cc1cc(C(C)(C)C)nn(C)c1=O.
What is the InChIKey of 6-tert-butyl-2,4-dimethylpyridazin-3-one?
The InChIKey is VQKYLOHIHZUECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-6-8(10(2,3)4)11-12(5)9(7)13/h6H,1-5H3.
What are the key properties of 6-tert-butyl-2,4-dimethylpyridazin-3-one?
6-tert-butyl-2,4-dimethylpyridazin-3-one has a molecular weight of 180.25 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,4-dimethylpyridazin-3-one is sourced from PubChem (CID 58499036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).