6-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one

C10H14N2O2 — CID 78949436

IUPAC6-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one
SMILESCc1ccc(=O)n(CC(=O)C(C)C)n1
InChIInChI=1S/C10H14N2O2/c1-7(2)9(13)6-12-10(14)5-4-8(3)11-12/h4-5,7H,6H2,1-3H3
InChIKeyAOQVVAXEDCUQIR-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.78
Rot. Bonds3

About 6-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one

6-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one (PubChem CID 78949436) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 6-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one
PubChem CID78949436
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name6-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one
SMILESCc1ccc(=O)n(CC(=O)C(C)C)n1
InChIInChI=1S/C10H14N2O2/c1-7(2)9(13)6-12-10(14)5-4-8(3)11-12/h4-5,7H,6H2,1-3H3
InChIKeyAOQVVAXEDCUQIR-UHFFFAOYSA-N
XLogP0.78
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-aminopropyl]-6-methylpyridazin-3-one
CID 94898157
N-[bis(4-chlorophenyl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide
CID 86890336
6-methyl-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one
CID 62923541
2-(3-bromo-2-methylpropyl)-6-methylpyridazin-3-one
CID 64995557
6-methyl-2-[2-(methylamino)propyl]pyridazin-3-one
CID 62923532
2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 62922672
ethene;2-ethyl-6-methylpyridazin-3-one
CID 159533733
6-methyl-2-propylpyridazin-3-one
CID 12504076
2-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 55157225
2-[2-(2,5-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 62922686
(E)-4-(3-methyl-6-oxopyridazin-1-yl)but-2-enoic acid
CID 62923037
N-(2-bromophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)acetamide
CID 50946792

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one?
The IUPAC name of 6-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one (CID 78949436) is 6-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one?
The canonical SMILES for 6-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one is Cc1ccc(=O)n(CC(=O)C(C)C)n1.
What is the InChIKey of 6-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one?
The InChIKey is AOQVVAXEDCUQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(2)9(13)6-12-10(14)5-4-8(3)11-12/h4-5,7H,6H2,1-3H3.
What are the key properties of 6-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one?
6-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one has a molecular weight of 194.23 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one is sourced from PubChem (CID 78949436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).