2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetic acid

C10H13N3O4 — CID 54901036

IUPAC2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C10H13N3O4/c1-3-13(6-9(15)16)10(17)7-4-5-8(14)12(2)11-7/h4-5H,3,6H2,1-2H3,(H,15,16)
InChIKeyGAIHQFXPPWFVCC-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.67
Rot. Bonds4

About 2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetic acid

2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetic acid (PubChem CID 54901036) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetic acid
PubChem CID54901036
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C10H13N3O4/c1-3-13(6-9(15)16)10(17)7-4-5-8(14)12(2)11-7/h4-5H,3,6H2,1-2H3,(H,15,16)
InChIKeyGAIHQFXPPWFVCC-UHFFFAOYSA-N
XLogP-0.67
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetic acid (CID 54901036) is 2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetic acid is CCN(CC(=O)O)C(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of 2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetic acid?
The InChIKey is GAIHQFXPPWFVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-3-13(6-9(15)16)10(17)7-4-5-8(14)12(2)11-7/h4-5H,3,6H2,1-2H3,(H,15,16).
What are the key properties of 2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetic acid?
2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetic acid has a molecular weight of 239.23 g/mol, XLogP of -0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 54901036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).