3-methyl-3-(6-oxopyridazin-1-yl)butanamide

C9H13N3O2 — CID 57324656

IUPAC3-methyl-3-(6-oxopyridazin-1-yl)butanamide
SMILESCC(C)(CC(N)=O)n1ncccc1=O
InChIInChI=1S/C9H13N3O2/c1-9(2,6-7(10)13)12-8(14)4-3-5-11-12/h3-5H,6H2,1-2H3,(H2,10,13)
InChIKeyOXEAEGODCLXCTN-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.15
Rot. Bonds3

About 3-methyl-3-(6-oxopyridazin-1-yl)butanamide

3-methyl-3-(6-oxopyridazin-1-yl)butanamide (PubChem CID 57324656) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-methyl-3-(6-oxopyridazin-1-yl)butanamide.

Molecular Properties

Compound Name3-methyl-3-(6-oxopyridazin-1-yl)butanamide
PubChem CID57324656
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-methyl-3-(6-oxopyridazin-1-yl)butanamide
SMILESCC(C)(CC(N)=O)n1ncccc1=O
InChIInChI=1S/C9H13N3O2/c1-9(2,6-7(10)13)12-8(14)4-3-5-11-12/h3-5H,6H2,1-2H3,(H2,10,13)
InChIKeyOXEAEGODCLXCTN-UHFFFAOYSA-N
XLogP-0.15
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(6-oxopyridazin-1-yl)butanamide
CID 20300058
N-methyl-3-(3-oxo-2-pyridazinyl)propionamide
CID 20300060
3-(6-Oxopyridazin-1-yl)butanamide
CID 56989158
3-Methyl-3-(6-oxopyridazin-1-yl)butanethioamide
CID 57085789
N-tert-butyl-2-methyl-3-oxopyridazine-4-carboxamide
CID 59531630
N-tert-butyl-6-oxo-1H-pyridazine-5-carboxamide
CID 123233261
2-(2-Methylbutan-2-yl)pyridazin-3-one
CID 126757519
2-(1-Amino-2-methylbutan-2-yl)pyridazin-3-one
CID 82503881
4-(Aminomethyl)-2-tert-butylpyridazin-3-one
CID 172417114

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(6-oxopyridazin-1-yl)butanamide?
The IUPAC name of 3-methyl-3-(6-oxopyridazin-1-yl)butanamide (CID 57324656) is 3-methyl-3-(6-oxopyridazin-1-yl)butanamide.
What is the SMILES notation for 3-methyl-3-(6-oxopyridazin-1-yl)butanamide?
The canonical SMILES for 3-methyl-3-(6-oxopyridazin-1-yl)butanamide is CC(C)(CC(N)=O)n1ncccc1=O.
What is the InChIKey of 3-methyl-3-(6-oxopyridazin-1-yl)butanamide?
The InChIKey is OXEAEGODCLXCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-9(2,6-7(10)13)12-8(14)4-3-5-11-12/h3-5H,6H2,1-2H3,(H2,10,13).
What are the key properties of 3-methyl-3-(6-oxopyridazin-1-yl)butanamide?
3-methyl-3-(6-oxopyridazin-1-yl)butanamide has a molecular weight of 195.22 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(6-oxopyridazin-1-yl)butanamide is sourced from PubChem (CID 57324656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).