2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid

C10H13N3O4 — CID 43354459

IUPAC2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid
SMILESCc1nn(C)c(=O)c(C(=O)NCC(=O)O)c1C
InChIInChI=1S/C10H13N3O4/c1-5-6(2)12-13(3)10(17)8(5)9(16)11-4-7(14)15/h4H2,1-3H3,(H,11,16)(H,14,15)
InChIKeyRNCCBVJUWPEAPZ-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.79
Rot. Bonds3

About 2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid

2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid (PubChem CID 43354459) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid
PubChem CID43354459
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid
SMILESCc1nn(C)c(=O)c(C(=O)NCC(=O)O)c1C
InChIInChI=1S/C10H13N3O4/c1-5-6(2)12-13(3)10(17)8(5)9(16)11-4-7(14)15/h4H2,1-3H3,(H,11,16)(H,14,15)
InChIKeyRNCCBVJUWPEAPZ-UHFFFAOYSA-N
XLogP-0.79
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid (CID 43354459) is 2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid is Cc1nn(C)c(=O)c(C(=O)NCC(=O)O)c1C.
What is the InChIKey of 2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid?
The InChIKey is RNCCBVJUWPEAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-5-6(2)12-13(3)10(17)8(5)9(16)11-4-7(14)15/h4H2,1-3H3,(H,11,16)(H,14,15).
What are the key properties of 2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid?
2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid has a molecular weight of 239.23 g/mol, XLogP of -0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 43354459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).