5-tert-butyl-2-methylpyridazin-3-one;ethane

C11H20N2O — CID 158942496

IUPAC5-tert-butyl-2-methylpyridazin-3-one;ethane
SMILESCC.Cn1ncc(C(C)(C)C)cc1=O
InChIInChI=1S/C9H14N2O.C2H6/c1-9(2,3)7-5-8(12)11(4)10-6-7;1-2/h5-6H,1-4H3;1-2H3
InChIKeyJKKRZNSJFUQDBO-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.10
Rot. Bonds

About 5-tert-butyl-2-methylpyridazin-3-one;ethane

5-tert-butyl-2-methylpyridazin-3-one;ethane (PubChem CID 158942496) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-tert-butyl-2-methylpyridazin-3-one;ethane.

Molecular Properties

Compound Name5-tert-butyl-2-methylpyridazin-3-one;ethane
PubChem CID158942496
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name5-tert-butyl-2-methylpyridazin-3-one;ethane
SMILESCC.Cn1ncc(C(C)(C)C)cc1=O
InChIInChI=1S/C9H14N2O.C2H6/c1-9(2,3)7-5-8(12)11(4)10-6-7;1-2/h5-6H,1-4H3;1-2H3
InChIKeyJKKRZNSJFUQDBO-UHFFFAOYSA-N
XLogP2.10
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Fluoro-2-methyl-5-propan-2-ylpyridazin-3-one
CID 172614337
6-Fluoro-2-methyl-5-propan-2-ylpyridazin-3-one
CID 172614571
5-Tert-butyl-2-(2,2-difluoroethyl)pyridazin-3-one
CID 176827802
2-Methyl-5-propan-2-ylpyridazin-3-one
CID 12864814
4,5-Ditert-butyl-2-methylpyridazin-3-one
CID 20872054
4,5-Ditert-butyl-2-propylpyridazin-3-one
CID 23552383
4-Tert-butyl-2-methyl-5-propan-2-ylpyridazin-3-one
CID 23600272
5-(Tert-butyl)pyridazin-3(2H)-one
CID 55269831
5-Tert-butyl-2-methylpyridazin-3-one
CID 59549204
4-Tert-butyl-2-methylpyridazin-3-one
CID 59598335
2,5-Ditert-butylpyridazin-3-one
CID 60052312
5-Ethyl-2-methylpyridazin-3-one
CID 126553938

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methylpyridazin-3-one;ethane?
The IUPAC name of 5-tert-butyl-2-methylpyridazin-3-one;ethane (CID 158942496) is 5-tert-butyl-2-methylpyridazin-3-one;ethane.
What is the SMILES notation for 5-tert-butyl-2-methylpyridazin-3-one;ethane?
The canonical SMILES for 5-tert-butyl-2-methylpyridazin-3-one;ethane is CC.Cn1ncc(C(C)(C)C)cc1=O.
What is the InChIKey of 5-tert-butyl-2-methylpyridazin-3-one;ethane?
The InChIKey is JKKRZNSJFUQDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.C2H6/c1-9(2,3)7-5-8(12)11(4)10-6-7;1-2/h5-6H,1-4H3;1-2H3.
What are the key properties of 5-tert-butyl-2-methylpyridazin-3-one;ethane?
5-tert-butyl-2-methylpyridazin-3-one;ethane has a molecular weight of 196.29 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methylpyridazin-3-one;ethane is sourced from PubChem (CID 158942496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).