4-tert-butyl-2-methyl-5-propan-2-ylpyridazin-3-one

C12H20N2O — CID 23600272

IUPAC4-tert-butyl-2-methyl-5-propan-2-ylpyridazin-3-one
SMILESCC(C)c1cnn(C)c(=O)c1C(C)(C)C
InChIInChI=1S/C12H20N2O/c1-8(2)9-7-13-14(6)11(15)10(9)12(3,4)5/h7-8H,1-6H3
InChIKeyMZDZRKFMSOHDPZ-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.20
Rot. Bonds1

About 4-tert-butyl-2-methyl-5-propan-2-ylpyridazin-3-one

4-tert-butyl-2-methyl-5-propan-2-ylpyridazin-3-one (PubChem CID 23600272) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-tert-butyl-2-methyl-5-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-tert-butyl-2-methyl-5-propan-2-ylpyridazin-3-one
PubChem CID23600272
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4-tert-butyl-2-methyl-5-propan-2-ylpyridazin-3-one
SMILESCC(C)c1cnn(C)c(=O)c1C(C)(C)C
InChIInChI=1S/C12H20N2O/c1-8(2)9-7-13-14(6)11(15)10(9)12(3,4)5/h7-8H,1-6H3
InChIKeyMZDZRKFMSOHDPZ-UHFFFAOYSA-N
XLogP2.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dimethyl-4-propan-2-ylpyridazin-3-one;ethane;2-methyl-4-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one
CID 170587436
2-Methyl-4-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one
CID 170587438
4-Fluoro-2-methyl-5-propan-2-ylpyridazin-3-one
CID 172614337
2-Butyl-4,5-ditert-butylpyridazin-3-one
CID 20872023
4,5-Ditert-butyl-2-methylpyridazin-3-one
CID 20872054
4,5-Ditert-butyl-2-propylpyridazin-3-one
CID 23552383
5-Tert-butyl-2-methylpyridazin-3-one
CID 59549204
4-Tert-butyl-2-methylpyridazin-3-one
CID 59598335
4-Tert-butyl-2-ethylpyridazin-3-one
CID 123914160
2-Methyl-4-propan-2-ylpyridazin-3-one
CID 132238920
4-Tert-butyl-2-propan-2-ylpyridazin-3-one
CID 132238921
4-Tert-butyl-2-methylpyridazin-3-one;ethane
CID 157684088

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methyl-5-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-tert-butyl-2-methyl-5-propan-2-ylpyridazin-3-one (CID 23600272) is 4-tert-butyl-2-methyl-5-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-tert-butyl-2-methyl-5-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-tert-butyl-2-methyl-5-propan-2-ylpyridazin-3-one is CC(C)c1cnn(C)c(=O)c1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-2-methyl-5-propan-2-ylpyridazin-3-one?
The InChIKey is MZDZRKFMSOHDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8(2)9-7-13-14(6)11(15)10(9)12(3,4)5/h7-8H,1-6H3.
What are the key properties of 4-tert-butyl-2-methyl-5-propan-2-ylpyridazin-3-one?
4-tert-butyl-2-methyl-5-propan-2-ylpyridazin-3-one has a molecular weight of 208.30 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methyl-5-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 23600272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).