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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Related Compounds

4,5-dimethyl-2-(2-methylbutan-2-yl)pyridazin-3-one
CID 143094984
2-tert-butyl-4-chloro-5-hydroxypyridazin-3-one
CID 54686946
5,13-ditert-butyl-2,9-dithia-5,6,12,13-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),6,11-tetraene-4,14-dione
CID 58564886
2-tert-butyl-5-chloro-3-oxopyridazine-4-carbonitrile
CID 19081414
5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one
CID 139494824
4,5-dimethyl-2-(4-methylphenyl)pyridazin-3-one
CID 144652032
2-tert-butyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one
CID 71937201
1-(1,1-difluoroethyl)-4,5-dimethylpyrazole
CID 176710911
2-(1-amino-2-methylpropan-2-yl)-5-methylpyridazin-3-one
CID 106548285
2-tert-butyl-5-chloro-4-prop-2-enylpyridazin-3-one
CID 70353710
5-(azocan-1-yl)-2-tert-butyl-4-chloropyridazin-3-one
CID 56800506
4,10-dimethyl-1,6,7,12-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione
CID 13405298

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).