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

C17H17N3O5 — CID 146135786

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

2-[4-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl)phenoxy]acetic acid (PubChem CID 146135786) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is 2-[4-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl)phenoxy]acetic acid.

Molecular Properties

• Compound Name: 2-[4-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl)phenoxy]acetic acid
• PubChem CID: 146135786
• Molecular Formula: C17H17N3O5
• Molecular Weight: 343.34 g/mol
• Exact Mass: 343.12
• IUPAC Name: 2-[4-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl)phenoxy]acetic acid
• SMILES: Cn1nc2c(cc1=O)CN(C(=O)c1ccc(OCC(=O)O)cc1)CC2
• InChI: InChI=1S/C17H17N3O5/c1-19-15(21)8-12-9-20(7-6-14(12)18-19)17(24)11-2-4-13(5-3-11)25-10-16(22)23/h2-5,8H,6-7,9-10H2,1H3,(H,22,23)
• InChIKey: GDHWOOSDRGLSLT-UHFFFAOYSA-N
• XLogP: 0.44
• TPSA: 101.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.34
LogP ≤ 5	0.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl)phenoxy]acetic acid?

The IUPAC name of 2-[4-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl)phenoxy]acetic acid (CID 146135786) is 2-[4-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl)phenoxy]acetic acid.

What is the SMILES notation for 2-[4-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl)phenoxy]acetic acid?

The canonical SMILES for 2-[4-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl)phenoxy]acetic acid is Cn1nc2c(cc1=O)CN(C(=O)c1ccc(OCC(=O)O)cc1)CC2.

What is the InChIKey of 2-[4-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl)phenoxy]acetic acid?

The InChIKey is GDHWOOSDRGLSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-19-15(21)8-12-9-20(7-6-14(12)18-19)17(24)11-2-4-13(5-3-11)25-10-16(22)23/h2-5,8H,6-7,9-10H2,1H3,(H,22,23).

What are the key properties of 2-[4-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl)phenoxy]acetic acid?

2-[4-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl)phenoxy]acetic acid has a molecular weight of 343.34 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl)phenoxy]acetic acid is sourced from PubChem (CID 146135786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).