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

C10H14N2O2 — CID 106548763

IUPAC5-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one
SMILESCc1cnn(CC(=O)C(C)C)c(=O)c1
InChIInChI=1S/C10H14N2O2/c1-7(2)9(13)6-12-10(14)4-8(3)5-11-12/h4-5,7H,6H2,1-3H3
InChIKeyBBGGZHNERNSRBS-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.78
Rot. Bonds3

About 5-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one

5-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one (PubChem CID 106548763) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one
PubChem CID106548763
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name5-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one
SMILESCc1cnn(CC(=O)C(C)C)c(=O)c1
InChIInChI=1S/C10H14N2O2/c1-7(2)9(13)6-12-10(14)4-8(3)5-11-12/h4-5,7H,6H2,1-3H3
InChIKeyBBGGZHNERNSRBS-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

4,5-Dimethyl-2-(2-oxopropyl)pyridazin-3-one
CID 22966720
2-(3,3-Dimethyl-2-oxobutyl)pyridazin-3-one
CID 57907458
5-Methyl-2-(2-oxopropyl)pyridazin-3-one
CID 57907520
2-(2-Oxobutyl)pyridazin-3-one
CID 62849608
2-(4-Methyl-2-oxopentyl)pyridazin-3-one
CID 139772201
4,5-Bis(ethenyl)-2-(2-oxopropyl)pyridazin-3-one
CID 143873317
2-(3-Methyl-2-oxobutyl)pyridazin-3-one
CID 79395760
2-(3-Methyl-2-oxopentyl)pyridazin-3-one
CID 80448552
5-Methyl-2-(2-oxopentyl)pyridazin-3-one
CID 106548773
5-Methyl-2-(3-methyl-2-oxopentyl)pyridazin-3-one
CID 106548776
5-Methyl-2-(3-oxopentan-2-yl)pyridazin-3-one
CID 106548788
5-Methyl-2-(3-oxobutyl)pyridazin-3-one
CID 106548804

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one?
The IUPAC name of 5-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one (CID 106548763) is 5-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one.
What is the SMILES notation for 5-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one?
The canonical SMILES for 5-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one is Cc1cnn(CC(=O)C(C)C)c(=O)c1.
What is the InChIKey of 5-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one?
The InChIKey is BBGGZHNERNSRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(2)9(13)6-12-10(14)4-8(3)5-11-12/h4-5,7H,6H2,1-3H3.
What are the key properties of 5-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one?
5-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 5-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one is sourced from PubChem (CID 106548763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).