6-(2,2-dimethylpropyl)-2-methyl-4-propan-2-ylpyridazin-3-one

C13H22N2O — CID 172510493

IUPAC6-(2,2-dimethylpropyl)-2-methyl-4-propan-2-ylpyridazin-3-one
SMILESCC(C)c1cc(CC(C)(C)C)nn(C)c1=O
InChIInChI=1S/C13H22N2O/c1-9(2)11-7-10(8-13(3,4)5)14-15(6)12(11)16/h7,9H,8H2,1-6H3
InChIKeyCVDPHXWBGKDLDD-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.49
Rot. Bonds2

About 6-(2,2-dimethylpropyl)-2-methyl-4-propan-2-ylpyridazin-3-one

6-(2,2-dimethylpropyl)-2-methyl-4-propan-2-ylpyridazin-3-one (PubChem CID 172510493) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 6-(2,2-dimethylpropyl)-2-methyl-4-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-(2,2-dimethylpropyl)-2-methyl-4-propan-2-ylpyridazin-3-one
PubChem CID172510493
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name6-(2,2-dimethylpropyl)-2-methyl-4-propan-2-ylpyridazin-3-one
SMILESCC(C)c1cc(CC(C)(C)C)nn(C)c1=O
InChIInChI=1S/C13H22N2O/c1-9(2)11-7-10(8-13(3,4)5)14-15(6)12(11)16/h7,9H,8H2,1-6H3
InChIKeyCVDPHXWBGKDLDD-UHFFFAOYSA-N
XLogP2.49
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-2,4-di(propan-2-yl)pyridazin-3-one
CID 15054347
6-Tert-butyl-2,4-dimethylpyridazin-3-one
CID 58499036
4-Ethyl-2,6-dimethylpyridazin-3-one
CID 59120442
2,4,5-Trimethyl-6-propan-2-ylpyridazin-3-one
CID 59339231
(4Z)-5-tert-butyl-2-methyl-4-[(E)-4-methylpent-2-enylidene]pyrazol-3-one
CID 59887922
4-(2,2-Dimethylpropyl)-2-methylpyridazin-3-one
CID 89562066
2,4-Diethyl-6-propylpyridazin-3-one;ethane
CID 90714417
2,4-Diethyl-6-propylpyridazin-3-one
CID 90714418
2,6-Diethyl-4-propylpyridazin-3-one;ethane
CID 90789858
2,4,6-Triethylpyridazin-3-one
CID 90956249
2,6-Diethyl-4-prop-2-enylpyridazin-3-one
CID 91599742
2,4-Diethyl-6-prop-2-enylpyridazin-3-one
CID 91802064

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropyl)-2-methyl-4-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-(2,2-dimethylpropyl)-2-methyl-4-propan-2-ylpyridazin-3-one (CID 172510493) is 6-(2,2-dimethylpropyl)-2-methyl-4-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-(2,2-dimethylpropyl)-2-methyl-4-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-(2,2-dimethylpropyl)-2-methyl-4-propan-2-ylpyridazin-3-one is CC(C)c1cc(CC(C)(C)C)nn(C)c1=O.
What is the InChIKey of 6-(2,2-dimethylpropyl)-2-methyl-4-propan-2-ylpyridazin-3-one?
The InChIKey is CVDPHXWBGKDLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)11-7-10(8-13(3,4)5)14-15(6)12(11)16/h7,9H,8H2,1-6H3.
What are the key properties of 6-(2,2-dimethylpropyl)-2-methyl-4-propan-2-ylpyridazin-3-one?
6-(2,2-dimethylpropyl)-2-methyl-4-propan-2-ylpyridazin-3-one has a molecular weight of 222.33 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropyl)-2-methyl-4-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 172510493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).