2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetic acid

C7H9N3O4 — CID 43354512

IUPAC2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C7H9N3O4/c11-5-2-1-4(9-10-5)7(14)8-3-6(12)13/h1-3H2,(H,8,14)(H,10,11)(H,12,13)
InChIKeyDAFHLECRPXZEAU-UHFFFAOYSA-N
MW199.17 g/mol
LogP-1.55
Rot. Bonds3

About 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetic acid

2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetic acid (PubChem CID 43354512) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetic acid
PubChem CID43354512
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C7H9N3O4/c11-5-2-1-4(9-10-5)7(14)8-3-6(12)13/h1-3H2,(H,8,14)(H,10,11)(H,12,13)
InChIKeyDAFHLECRPXZEAU-UHFFFAOYSA-N
XLogP-1.55
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetic acid (CID 43354512) is 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetic acid is O=C(O)CNC(=O)C1=NNC(=O)CC1.
What is the InChIKey of 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetic acid?
The InChIKey is DAFHLECRPXZEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c11-5-2-1-4(9-10-5)7(14)8-3-6(12)13/h1-3H2,(H,8,14)(H,10,11)(H,12,13).
What are the key properties of 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetic acid?
2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetic acid has a molecular weight of 199.17 g/mol, XLogP of -1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 43354512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).