2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetamide

C8H10N4O4 — CID 60668258

IUPAC2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetamide
SMILESNC(=O)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H10N4O4/c9-5(13)3-10-7(15)4-12-8(16)2-1-6(14)11-12/h1-2H,3-4H2,(H2,9,13)(H,10,15)(H,11,14)
InChIKeyWNAOFRNEICPLHN-UHFFFAOYSA-N
MW226.19 g/mol
LogP-2.86
Rot. Bonds4

About 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetamide

2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetamide (PubChem CID 60668258) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetamide
PubChem CID60668258
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetamide
SMILESNC(=O)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H10N4O4/c9-5(13)3-10-7(15)4-12-8(16)2-1-6(14)11-12/h1-2H,3-4H2,(H2,9,13)(H,10,15)(H,11,14)
InChIKeyWNAOFRNEICPLHN-UHFFFAOYSA-N
XLogP-2.86
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-2.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetamide?
The IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetamide (CID 60668258) is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetamide?
The canonical SMILES for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetamide is NC(=O)CNC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetamide?
The InChIKey is WNAOFRNEICPLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4/c9-5(13)3-10-7(15)4-12-8(16)2-1-6(14)11-12/h1-2H,3-4H2,(H2,9,13)(H,10,15)(H,11,14).
What are the key properties of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetamide?
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetamide has a molecular weight of 226.19 g/mol, XLogP of -2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetamide is sourced from PubChem (CID 60668258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).