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

C11H15N3O3 — CID 99983365

IUPAC3-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid
SMILESCN1CCc2nn(CCC(=O)O)c(=O)cc2C1
InChIInChI=1S/C11H15N3O3/c1-13-4-2-9-8(7-13)6-10(15)14(12-9)5-3-11(16)17/h6H,2-5,7H2,1H3,(H,16,17)
InChIKeyNHLRHGHWENHSII-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.29
Rot. Bonds3

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

3-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid (PubChem CID 99983365) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid
PubChem CID99983365
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid
SMILESCN1CCc2nn(CCC(=O)O)c(=O)cc2C1
InChIInChI=1S/C11H15N3O3/c1-13-4-2-9-8(7-13)6-10(15)14(12-9)5-3-11(16)17/h6H,2-5,7H2,1H3,(H,16,17)
InChIKeyNHLRHGHWENHSII-UHFFFAOYSA-N
XLogP-0.29
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid?
The IUPAC name of 3-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid (CID 99983365) is 3-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid.
What is the SMILES notation for 3-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid?
The canonical SMILES for 3-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid is CN1CCc2nn(CCC(=O)O)c(=O)cc2C1.
What is the InChIKey of 3-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid?
The InChIKey is NHLRHGHWENHSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-13-4-2-9-8(7-13)6-10(15)14(12-9)5-3-11(16)17/h6H,2-5,7H2,1H3,(H,16,17).
What are the key properties of 3-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid?
3-(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 -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid is sourced from PubChem (CID 99983365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).