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

C8H11N3O2 — CID 56989158

IUPAC3-(6-oxopyridazin-1-yl)butanamide
SMILESCC(CC(N)=O)n1ncccc1=O
InChIInChI=1S/C8H11N3O2/c1-6(5-7(9)12)11-8(13)3-2-4-10-11/h2-4,6H,5H2,1H3,(H2,9,12)
InChIKeyYQNJTVHIEDOAQD-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.32
Rot. Bonds3

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

3-(6-oxopyridazin-1-yl)butanamide (PubChem CID 56989158) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is 3-(6-oxopyridazin-1-yl)butanamide.

Molecular Properties

Compound Name3-(6-oxopyridazin-1-yl)butanamide
PubChem CID56989158
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC Name3-(6-oxopyridazin-1-yl)butanamide
SMILESCC(CC(N)=O)n1ncccc1=O
InChIInChI=1S/C8H11N3O2/c1-6(5-7(9)12)11-8(13)3-2-4-10-11/h2-4,6H,5H2,1H3,(H2,9,12)
InChIKeyYQNJTVHIEDOAQD-UHFFFAOYSA-N
XLogP-0.32
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-Oxopyridazin-1-yl)butanethioamide
CID 12787572
N-methyl-3-(6-oxopyridazin-1-yl)butanamide
CID 20300058
N-methyl-3-(3-oxo-2-pyridazinyl)propionamide
CID 20300060
3-Methyl-3-(6-oxopyridazin-1-yl)butanamide
CID 57324656
2-methyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide
CID 58988011
N-tert-butyl-2-methyl-3-oxopyridazine-4-carboxamide
CID 59531630
4-(6-oxopyridazin-1-yl)-N-propan-2-ylbutanamide
CID 59706137
2-Butan-2-ylpyridazin-3-one
CID 66921964
N-methyl-4-(6-oxopyridazin-1-yl)butanamide
CID 88975423
3-(6-Oxopyridazin-1-yl)propanamide
CID 62848562
2-[3-(Propylamino)butyl]pyridazin-3-one
CID 62848727
2-[3-(Methylamino)butyl]pyridazin-3-one
CID 62849068

Frequently Asked Questions

What is the IUPAC name of 3-(6-oxopyridazin-1-yl)butanamide?
The IUPAC name of 3-(6-oxopyridazin-1-yl)butanamide (CID 56989158) is 3-(6-oxopyridazin-1-yl)butanamide.
What is the SMILES notation for 3-(6-oxopyridazin-1-yl)butanamide?
The canonical SMILES for 3-(6-oxopyridazin-1-yl)butanamide is CC(CC(N)=O)n1ncccc1=O.
What is the InChIKey of 3-(6-oxopyridazin-1-yl)butanamide?
The InChIKey is YQNJTVHIEDOAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-6(5-7(9)12)11-8(13)3-2-4-10-11/h2-4,6H,5H2,1H3,(H2,9,12).
What are the key properties of 3-(6-oxopyridazin-1-yl)butanamide?
3-(6-oxopyridazin-1-yl)butanamide has a molecular weight of 181.20 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxopyridazin-1-yl)butanamide is sourced from PubChem (CID 56989158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).