2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetamide

C8H11N3O3 — CID 63271315

IUPAC2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetamide
SMILESCc1c(C)c(=O)n(CC(N)=O)[nH]c1=O
InChIInChI=1S/C8H11N3O3/c1-4-5(2)8(14)11(3-6(9)12)10-7(4)13/h3H2,1-2H3,(H2,9,12)(H,10,13)
InChIKeyNKYKODSQRUDZMQ-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.36
Rot. Bonds2

About 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetamide

2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetamide (PubChem CID 63271315) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetamide
PubChem CID63271315
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetamide
SMILESCc1c(C)c(=O)n(CC(N)=O)[nH]c1=O
InChIInChI=1S/C8H11N3O3/c1-4-5(2)8(14)11(3-6(9)12)10-7(4)13/h3H2,1-2H3,(H2,9,12)(H,10,13)
InChIKeyNKYKODSQRUDZMQ-UHFFFAOYSA-N
XLogP-1.36
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The IUPAC name of 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetamide (CID 63271315) is 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetamide.
What is the SMILES notation for 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The canonical SMILES for 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetamide is Cc1c(C)c(=O)n(CC(N)=O)[nH]c1=O.
What is the InChIKey of 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The InChIKey is NKYKODSQRUDZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-4-5(2)8(14)11(3-6(9)12)10-7(4)13/h3H2,1-2H3,(H2,9,12)(H,10,13).
What are the key properties of 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetamide?
2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetamide has a molecular weight of 197.19 g/mol, XLogP of -1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetamide is sourced from PubChem (CID 63271315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).