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

C8H11N3O3 — CID 60637145

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H11N3O3/c1-10(2)8(14)5-11-7(13)4-3-6(12)9-11/h3-4H,5H2,1-2H3,(H,9,12)
InChIKeyVZJJBCXOEHFZED-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.38
Rot. Bonds2

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-dimethylacetamide (PubChem CID 60637145) 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,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-dimethylacetamide
PubChem CID60637145
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H11N3O3/c1-10(2)8(14)5-11-7(13)4-3-6(12)9-11/h3-4H,5H2,1-2H3,(H,9,12)
InChIKeyVZJJBCXOEHFZED-UHFFFAOYSA-N
XLogP-1.38
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Butyl-1,2-dihydro-3,6-pyridazinedione
CID 246498
1-(Prop-2-en-1-yl)-1,2-dihydropyridazine-3,6-dione
CID 12843593
N'-acetyl-2-(5-fluoro-2-oxo-1-pyridinyl)acetohydrazide
CID 84313595
2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 3595132
2-(2-oxopyridin-1(2H)-yl)acetohydrazide
CID 7130980
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
2-[2-(2,5-Dioxopyrrol-1-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide
CID 23557818
2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetohydrazide
CID 45089030
CID 58044780
CID 58044780
2-(2-oxopropyl)-1H-pyridazine-3,6-dione
CID 58815500

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-dimethylacetamide (CID 60637145) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-dimethylacetamide?
The InChIKey is VZJJBCXOEHFZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-10(2)8(14)5-11-7(13)4-3-6(12)9-11/h3-4H,5H2,1-2H3,(H,9,12).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-dimethylacetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-dimethylacetamide has a molecular weight of 197.19 g/mol, XLogP of -1.38, 2 rotatable bonds, 1 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,N-dimethylacetamide is sourced from PubChem (CID 60637145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).