2-(3-amino-6-oxopyridazin-1-yl)acetamide

C6H8N4O2 — CID 116788386

IUPAC2-(3-amino-6-oxopyridazin-1-yl)acetamide
SMILESNC(=O)Cn1nc(N)ccc1=O
InChIInChI=1S/C6H8N4O2/c7-4-1-2-6(12)10(9-4)3-5(8)11/h1-2H,3H2,(H2,7,9)(H2,8,11)
InChIKeyOKOJUXNWUIJBHL-UHFFFAOYSA-N
MW168.16 g/mol
LogP-1.69
Rot. Bonds2

About 2-(3-amino-6-oxopyridazin-1-yl)acetamide

2-(3-amino-6-oxopyridazin-1-yl)acetamide (PubChem CID 116788386) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 2-(3-amino-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-6-oxopyridazin-1-yl)acetamide
PubChem CID116788386
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name2-(3-amino-6-oxopyridazin-1-yl)acetamide
SMILESNC(=O)Cn1nc(N)ccc1=O
InChIInChI=1S/C6H8N4O2/c7-4-1-2-6(12)10(9-4)3-5(8)11/h1-2H,3H2,(H2,7,9)(H2,8,11)
InChIKeyOKOJUXNWUIJBHL-UHFFFAOYSA-N
XLogP-1.69
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of 2-(3-amino-6-oxopyridazin-1-yl)acetamide (CID 116788386) is 2-(3-amino-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for 2-(3-amino-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for 2-(3-amino-6-oxopyridazin-1-yl)acetamide is NC(=O)Cn1nc(N)ccc1=O.
What is the InChIKey of 2-(3-amino-6-oxopyridazin-1-yl)acetamide?
The InChIKey is OKOJUXNWUIJBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c7-4-1-2-6(12)10(9-4)3-5(8)11/h1-2H,3H2,(H2,7,9)(H2,8,11).
What are the key properties of 2-(3-amino-6-oxopyridazin-1-yl)acetamide?
2-(3-amino-6-oxopyridazin-1-yl)acetamide has a molecular weight of 168.16 g/mol, XLogP of -1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 116788386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).