2-tert-butyl-4,5-dimethylpyridazin-3-one

C10H16N2O — CID 58336945

IUPAC2-tert-butyl-4,5-dimethylpyridazin-3-one
SMILESCc1cnn(C(C)(C)C)c(=O)c1C
InChIInChI=1S/C10H16N2O/c1-7-6-11-12(10(3,4)5)9(13)8(7)2/h6H,1-5H3
InChIKeyVDJAIFSZEGUCQG-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.62
Rot. Bonds

About 2-tert-butyl-4,5-dimethylpyridazin-3-one

2-tert-butyl-4,5-dimethylpyridazin-3-one (PubChem CID 58336945) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-tert-butyl-4,5-dimethylpyridazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-4,5-dimethylpyridazin-3-one
PubChem CID58336945
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-tert-butyl-4,5-dimethylpyridazin-3-one
SMILESCc1cnn(C(C)(C)C)c(=O)c1C
InChIInChI=1S/C10H16N2O/c1-7-6-11-12(10(3,4)5)9(13)8(7)2/h6H,1-5H3
InChIKeyVDJAIFSZEGUCQG-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5-dimethylpyridazin-3-one?
The IUPAC name of 2-tert-butyl-4,5-dimethylpyridazin-3-one (CID 58336945) is 2-tert-butyl-4,5-dimethylpyridazin-3-one.
What is the SMILES notation for 2-tert-butyl-4,5-dimethylpyridazin-3-one?
The canonical SMILES for 2-tert-butyl-4,5-dimethylpyridazin-3-one is Cc1cnn(C(C)(C)C)c(=O)c1C.
What is the InChIKey of 2-tert-butyl-4,5-dimethylpyridazin-3-one?
The InChIKey is VDJAIFSZEGUCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-6-11-12(10(3,4)5)9(13)8(7)2/h6H,1-5H3.
What are the key properties of 2-tert-butyl-4,5-dimethylpyridazin-3-one?
2-tert-butyl-4,5-dimethylpyridazin-3-one has a molecular weight of 180.25 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5-dimethylpyridazin-3-one is sourced from PubChem (CID 58336945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).