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

C8H11N3O2 — CID 12787584

IUPAC3-(3-methyl-6-oxopyridazin-1-yl)propanamide
SMILESCc1ccc(=O)n(CCC(N)=O)n1
InChIInChI=1S/C8H11N3O2/c1-6-2-3-8(13)11(10-6)5-4-7(9)12/h2-3H,4-5H2,1H3,(H2,9,12)
InChIKeyUEERNJUTWAOYDY-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.57
Rot. Bonds3

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

3-(3-methyl-6-oxopyridazin-1-yl)propanamide (PubChem CID 12787584) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is 3-(3-methyl-6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound Name3-(3-methyl-6-oxopyridazin-1-yl)propanamide
PubChem CID12787584
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC Name3-(3-methyl-6-oxopyridazin-1-yl)propanamide
SMILESCc1ccc(=O)n(CCC(N)=O)n1
InChIInChI=1S/C8H11N3O2/c1-6-2-3-8(13)11(10-6)5-4-7(9)12/h2-3H,4-5H2,1H3,(H2,9,12)
InChIKeyUEERNJUTWAOYDY-UHFFFAOYSA-N
XLogP-0.57
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 ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 1932907
3-(3-Methyl-6-oxopyridazin-1-yl)propanethioamide
CID 12787576
3-(3-Methyl-6-oxopyridazin-1-yl)butanethioamide
CID 12787577
2-Methyl-3-(3-methyl-6-oxopyridazin-1-yl)propanethioamide
CID 12787578
4-(3-Methyl-6-oxopyridazin-1-yl)butanethioamide
CID 12787591
N-isopropyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443181
N-[2-(dimethylamino)ethyl]-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443194
N-(2-methoxyethyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443195
N-cyclopentyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 9168301
2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide
CID 170266150
3(2H)-Pyridazinone, 6-methyl-2-(2-propenyl)-
CID 12237249
(3e)-N,N-dimethyl-4-(3-oxo-2,3-dihydropyridazin-6-yl)but-3-enamide
CID 155801722

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-6-oxopyridazin-1-yl)propanamide?
The IUPAC name of 3-(3-methyl-6-oxopyridazin-1-yl)propanamide (CID 12787584) is 3-(3-methyl-6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for 3-(3-methyl-6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for 3-(3-methyl-6-oxopyridazin-1-yl)propanamide is Cc1ccc(=O)n(CCC(N)=O)n1.
What is the InChIKey of 3-(3-methyl-6-oxopyridazin-1-yl)propanamide?
The InChIKey is UEERNJUTWAOYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-6-2-3-8(13)11(10-6)5-4-7(9)12/h2-3H,4-5H2,1H3,(H2,9,12).
What are the key properties of 3-(3-methyl-6-oxopyridazin-1-yl)propanamide?
3-(3-methyl-6-oxopyridazin-1-yl)propanamide has a molecular weight of 181.20 g/mol, XLogP of -0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 12787584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).