2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)acetic acid

C10H13N3O3 — CID 97181218

IUPAC2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)acetic acid
SMILESCN1CCc2nn(CC(=O)O)c(=O)cc2C1
InChIInChI=1S/C10H13N3O3/c1-12-3-2-8-7(5-12)4-9(14)13(11-8)6-10(15)16/h4H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyZCYBTFJZPGQFEH-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.68
Rot. Bonds2

About 2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)acetic acid

2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)acetic acid (PubChem CID 97181218) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)acetic acid
PubChem CID97181218
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)acetic acid
SMILESCN1CCc2nn(CC(=O)O)c(=O)cc2C1
InChIInChI=1S/C10H13N3O3/c1-12-3-2-8-7(5-12)4-9(14)13(11-8)6-10(15)16/h4H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyZCYBTFJZPGQFEH-UHFFFAOYSA-N
XLogP-0.68
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)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-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)acetic acid?
The IUPAC name of 2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)acetic acid (CID 97181218) is 2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)acetic acid.
What is the SMILES notation for 2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)acetic acid?
The canonical SMILES for 2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)acetic acid is CN1CCc2nn(CC(=O)O)c(=O)cc2C1.
What is the InChIKey of 2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)acetic acid?
The InChIKey is ZCYBTFJZPGQFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-12-3-2-8-7(5-12)4-9(14)13(11-8)6-10(15)16/h4H,2-3,5-6H2,1H3,(H,15,16).
What are the key properties of 2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)acetic acid?
2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)acetic acid has a molecular weight of 223.23 g/mol, XLogP of -0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)acetic acid is sourced from PubChem (CID 97181218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).