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

C8H11N3O3 — CID 60636501

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H11N3O3/c1-2-9-7(13)5-11-8(14)4-3-6(12)10-11/h3-4H,2,5H2,1H3,(H,9,13)(H,10,12)
InChIKeyPDXQEBSATVPIKM-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.33
Rot. Bonds3

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethylacetamide (PubChem CID 60636501) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethylacetamide
PubChem CID60636501
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H11N3O3/c1-2-9-7(13)5-11-8(14)4-3-6(12)10-11/h3-4H,2,5H2,1H3,(H,9,13)(H,10,12)
InChIKeyPDXQEBSATVPIKM-UHFFFAOYSA-N
XLogP-1.33
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Butyl-1,2-dihydro-3,6-pyridazinedione
CID 246498
Bis(aminoethylamino) ethyl maleamide
CID 129826976
Einecs 253-082-7
CID 21278031
2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 3595132
2-ethyl-1H-pyridazine-3,6-dione
CID 12289925
1-(2-Aminoethyl)-1,2-dihydropyridazine-3,6-dione
CID 16782851
(E)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]but-2-enamide
CID 20719136
N-but-2-enyl-2-hydrazinyl-2-oxoacetamide
CID 54278312
CID 58044780
CID 58044780
2-(2-oxopropyl)-1H-pyridazine-3,6-dione
CID 58815500
N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]but-2-enamide
CID 73700978
N-[(E)-but-2-enyl]-2-hydrazinyl-2-oxoacetamide
CID 88527441

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethylacetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethylacetamide (CID 60636501) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethylacetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethylacetamide is CCNC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethylacetamide?
The InChIKey is PDXQEBSATVPIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-2-9-7(13)5-11-8(14)4-3-6(12)10-11/h3-4H,2,5H2,1H3,(H,9,13)(H,10,12).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethylacetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethylacetamide has a molecular weight of 197.19 g/mol, XLogP of -1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethylacetamide is sourced from PubChem (CID 60636501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).