3-tert-butyl-5-methyl-1H-pyridazin-6-one

C9H14N2O — CID 134986952

IUPAC3-tert-butyl-5-methyl-1H-pyridazin-6-one
SMILESCc1cc(C(C)(C)C)n[nH]c1=O
InChIInChI=1S/C9H14N2O/c1-6-5-7(9(2,3)4)10-11-8(6)12/h5H,1-4H3,(H,11,12)
InChIKeyGETXZSJRKVHHCW-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.38
Rot. Bonds

About 3-tert-butyl-5-methyl-1H-pyridazin-6-one

3-tert-butyl-5-methyl-1H-pyridazin-6-one (PubChem CID 134986952) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-tert-butyl-5-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-tert-butyl-5-methyl-1H-pyridazin-6-one
PubChem CID134986952
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-tert-butyl-5-methyl-1H-pyridazin-6-one
SMILESCc1cc(C(C)(C)C)n[nH]c1=O
InChIInChI=1S/C9H14N2O/c1-6-5-7(9(2,3)4)10-11-8(6)12/h5H,1-4H3,(H,11,12)
InChIKeyGETXZSJRKVHHCW-UHFFFAOYSA-N
XLogP1.38
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-5-chloro-1H-pyridazin-6-one
CID 117106930
3-tert-butyl-5-(hydroxyamino)-1H-pyridazin-6-one
CID 55254935
5-(bromomethyl)-3-tert-butyl-1H-pyridazin-6-one
CID 82443438
3-tert-butyl-5-(butylaminomethyl)-1H-pyridazin-6-one
CID 82443430
3-tert-butyl-5-(trichloromethyl)-1H-pyrazole
CID 11791345
3-tert-butyl-1H-pyridazin-6-one;vanadium
CID 171811569
tert-butyl 2-(5-methyl-6-oxo-1H-pyridazin-3-yl)acetate
CID 68984729
1-(3-tert-butyl-1H-pyrazol-5-yl)cyclopropan-1-amine
CID 84768009
6-tert-butyl-2,4-dimethylpyridazin-3-one
CID 58499036
copper(1+);bis(3,5-ditert-butyl-1H-pyrazole);chlorate
CID 139150968
3-tert-butyl-5-[(2R)-3-methylbutan-2-yl]-1H-pyrazole
CID 166904793
2-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
CID 82418317

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methyl-1H-pyridazin-6-one?
The IUPAC name of 3-tert-butyl-5-methyl-1H-pyridazin-6-one (CID 134986952) is 3-tert-butyl-5-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-tert-butyl-5-methyl-1H-pyridazin-6-one?
The canonical SMILES for 3-tert-butyl-5-methyl-1H-pyridazin-6-one is Cc1cc(C(C)(C)C)n[nH]c1=O.
What is the InChIKey of 3-tert-butyl-5-methyl-1H-pyridazin-6-one?
The InChIKey is GETXZSJRKVHHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6-5-7(9(2,3)4)10-11-8(6)12/h5H,1-4H3,(H,11,12).
What are the key properties of 3-tert-butyl-5-methyl-1H-pyridazin-6-one?
3-tert-butyl-5-methyl-1H-pyridazin-6-one has a molecular weight of 166.22 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 134986952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).