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

C11H15N3O3 — CID 102548521

IUPAC2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid
SMILESCC(C(=O)O)n1nc2c(cc1=O)CN(C)CC2
InChIInChI=1S/C11H15N3O3/c1-7(11(16)17)14-10(15)5-8-6-13(2)4-3-9(8)12-14/h5,7H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyMTOOUOJRRMNKKV-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.12
Rot. Bonds2

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

2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid (PubChem CID 102548521) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid
PubChem CID102548521
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid
SMILESCC(C(=O)O)n1nc2c(cc1=O)CN(C)CC2
InChIInChI=1S/C11H15N3O3/c1-7(11(16)17)14-10(15)5-8-6-13(2)4-3-9(8)12-14/h5,7H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyMTOOUOJRRMNKKV-UHFFFAOYSA-N
XLogP-0.12
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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)propanoic acid?
The IUPAC name of 2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid (CID 102548521) is 2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid.
What is the SMILES notation for 2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid?
The canonical SMILES for 2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid is CC(C(=O)O)n1nc2c(cc1=O)CN(C)CC2.
What is the InChIKey of 2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid?
The InChIKey is MTOOUOJRRMNKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7(11(16)17)14-10(15)5-8-6-13(2)4-3-9(8)12-14/h5,7H,3-4,6H2,1-2H3,(H,16,17).
What are the key properties of 2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid?
2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid has a molecular weight of 237.26 g/mol, XLogP of -0.12, 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)propanoic acid is sourced from PubChem (CID 102548521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).