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

C6H7N3O3 — CID 3595132

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
SMILESNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C6H7N3O3/c7-4(10)3-9-6(12)2-1-5(11)8-9/h1-2H,3H2,(H2,7,10)(H,8,11)
InChIKeyCOKHJJAZLQRIIX-UHFFFAOYSA-N
MW169.14 g/mol
LogP-1.98
Rot. Bonds2

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

2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide (PubChem CID 3595132) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
PubChem CID3595132
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
SMILESNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C6H7N3O3/c7-4(10)3-9-6(12)2-1-5(11)8-9/h1-2H,3H2,(H2,7,10)(H,8,11)
InChIKeyCOKHJJAZLQRIIX-UHFFFAOYSA-N
XLogP-1.98
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-1.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide (CID 3595132) is 2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide is NC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The InChIKey is COKHJJAZLQRIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c7-4(10)3-9-6(12)2-1-5(11)8-9/h1-2H,3H2,(H2,7,10)(H,8,11).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide has a molecular weight of 169.14 g/mol, XLogP of -1.98, 2 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)acetamide is sourced from PubChem (CID 3595132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).