2-[(6-oxo-1H-pyridazin-3-yl)carbamoylamino]acetic acid

C7H8N4O4 — CID 108887265

IUPAC2-[(6-oxo-1H-pyridazin-3-yl)carbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C7H8N4O4/c12-5-2-1-4(10-11-5)9-7(15)8-3-6(13)14/h1-2H,3H2,(H,11,12)(H,13,14)(H2,8,9,10,15)
InChIKeyHEAUUCZZRCGYOG-UHFFFAOYSA-N
MW212.16 g/mol
LogP-1.02
Rot. Bonds3

About 2-[(6-oxo-1H-pyridazin-3-yl)carbamoylamino]acetic acid

2-[(6-oxo-1H-pyridazin-3-yl)carbamoylamino]acetic acid (PubChem CID 108887265) has the molecular formula C7H8N4O4 and a molecular weight of 212.16 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyridazin-3-yl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyridazin-3-yl)carbamoylamino]acetic acid
PubChem CID108887265
Molecular FormulaC7H8N4O4
Molecular Weight212.16 g/mol
Exact Mass212.05
IUPAC Name2-[(6-oxo-1H-pyridazin-3-yl)carbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C7H8N4O4/c12-5-2-1-4(10-11-5)9-7(15)8-3-6(13)14/h1-2H,3H2,(H,11,12)(H,13,14)(H2,8,9,10,15)
InChIKeyHEAUUCZZRCGYOG-UHFFFAOYSA-N
XLogP-1.02
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyridazin-3-yl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(6-oxo-1H-pyridazin-3-yl)carbamoylamino]acetic acid (CID 108887265) is 2-[(6-oxo-1H-pyridazin-3-yl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(6-oxo-1H-pyridazin-3-yl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(6-oxo-1H-pyridazin-3-yl)carbamoylamino]acetic acid is O=C(O)CNC(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 2-[(6-oxo-1H-pyridazin-3-yl)carbamoylamino]acetic acid?
The InChIKey is HEAUUCZZRCGYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O4/c12-5-2-1-4(10-11-5)9-7(15)8-3-6(13)14/h1-2H,3H2,(H,11,12)(H,13,14)(H2,8,9,10,15).
What are the key properties of 2-[(6-oxo-1H-pyridazin-3-yl)carbamoylamino]acetic acid?
2-[(6-oxo-1H-pyridazin-3-yl)carbamoylamino]acetic acid has a molecular weight of 212.16 g/mol, XLogP of -1.02, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyridazin-3-yl)carbamoylamino]acetic acid is sourced from PubChem (CID 108887265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).