2-methyl-4,5-di(propan-2-yl)pyridazin-3-one

C11H18N2O — CID 171734882

IUPAC2-methyl-4,5-di(propan-2-yl)pyridazin-3-one
SMILESCC(C)c1cnn(C)c(=O)c1C(C)C
InChIInChI=1S/C11H18N2O/c1-7(2)9-6-12-13(5)11(14)10(9)8(3)4/h6-8H,1-5H3
InChIKeyASVJZEVSKBYPLA-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.03
Rot. Bonds2

About 2-methyl-4,5-di(propan-2-yl)pyridazin-3-one

2-methyl-4,5-di(propan-2-yl)pyridazin-3-one (PubChem CID 171734882) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-methyl-4,5-di(propan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-4,5-di(propan-2-yl)pyridazin-3-one
PubChem CID171734882
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-methyl-4,5-di(propan-2-yl)pyridazin-3-one
SMILESCC(C)c1cnn(C)c(=O)c1C(C)C
InChIInChI=1S/C11H18N2O/c1-7(2)9-6-12-13(5)11(14)10(9)8(3)4/h6-8H,1-5H3
InChIKeyASVJZEVSKBYPLA-UHFFFAOYSA-N
XLogP2.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.03
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
6-Fluoro-2,4-dimethyl-5-propan-2-ylpyridazin-3-one
CID 172614414
2,6,7-Trimethyl-5,8-dihydrophthalazin-1-one
CID 11030602
2-Methyl-5-propan-2-ylpyridazin-3-one
CID 12864814
5-Chloro-2,4-diethylpyridazin-3-one
CID 13825166
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
4-Tert-butyl-2-methyl-5-propan-2-ylpyridazin-3-one
CID 23600272
4-Tert-butyl-2-methylpyridazin-3-one
CID 59598335

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-di(propan-2-yl)pyridazin-3-one?
The IUPAC name of 2-methyl-4,5-di(propan-2-yl)pyridazin-3-one (CID 171734882) is 2-methyl-4,5-di(propan-2-yl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-4,5-di(propan-2-yl)pyridazin-3-one?
The canonical SMILES for 2-methyl-4,5-di(propan-2-yl)pyridazin-3-one is CC(C)c1cnn(C)c(=O)c1C(C)C.
What is the InChIKey of 2-methyl-4,5-di(propan-2-yl)pyridazin-3-one?
The InChIKey is ASVJZEVSKBYPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7(2)9-6-12-13(5)11(14)10(9)8(3)4/h6-8H,1-5H3.
What are the key properties of 2-methyl-4,5-di(propan-2-yl)pyridazin-3-one?
2-methyl-4,5-di(propan-2-yl)pyridazin-3-one has a molecular weight of 194.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-di(propan-2-yl)pyridazin-3-one is sourced from PubChem (CID 171734882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).