3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide

C7H9N3O3 — CID 597095

IUPAC3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide
SMILESNC(=O)CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C7H9N3O3/c8-5(11)3-4-10-7(13)2-1-6(12)9-10/h1-2H,3-4H2,(H2,8,11)(H,9,12)
InChIKeyAAYKONFWPMOCCN-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.59
Rot. Bonds3

About 3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide

3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide (PubChem CID 597095) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide.

Molecular Properties

Compound Name3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide
PubChem CID597095
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide
SMILESNC(=O)CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C7H9N3O3/c8-5(11)3-4-10-7(13)2-1-6(12)9-10/h1-2H,3-4H2,(H2,8,11)(H,9,12)
InChIKeyAAYKONFWPMOCCN-UHFFFAOYSA-N
XLogP-1.59
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-Dihydro-3,6-dioxo-1(2H)-pyridazinepropanenitrile
CID 580599
2-(2-Formylethyl)-2,3-dihydro-6-hydroxy-3-oxopyridazine
CID 366143
3-(3,6-dioxo-1H-pyridazin-2-yl)propanethioamide
CID 12787568
1-Butyl-1,2-dihydro-3,6-pyridazinedione
CID 246498
3-Maleimidopropionic acid hydrazide
CID 4401583
1-(Prop-2-en-1-yl)-1,2-dihydropyridazine-3,6-dione
CID 12843593
1-(3-Oxobutyl)-1,2-dihydropyridazine-3,6-dione
CID 587202
6-hydroxy-2-isopropyl-3(2H)-pyridazinone
CID 11378616
2-ethyl-1H-pyridazine-3,6-dione
CID 12289925
1-(2-Aminoethyl)-1,2-dihydropyridazine-3,6-dione
CID 16782851
3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanehydrazide hydrochloride
CID 44119989
CID 58044780
CID 58044780

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide?
The IUPAC name of 3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide (CID 597095) is 3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide.
What is the SMILES notation for 3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide?
The canonical SMILES for 3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide is NC(=O)CCn1[nH]c(=O)ccc1=O.
What is the InChIKey of 3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide?
The InChIKey is AAYKONFWPMOCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c8-5(11)3-4-10-7(13)2-1-6(12)9-10/h1-2H,3-4H2,(H2,8,11)(H,9,12).
What are the key properties of 3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide?
3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide has a molecular weight of 183.17 g/mol, XLogP of -1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide is sourced from PubChem (CID 597095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).