3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxylic acid

C8H9N3O3 — CID 175581878

IUPAC3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxylic acid
SMILESO=C(O)N1CCc2n[nH]c(=O)cc2C1
InChIInChI=1S/C8H9N3O3/c12-7-3-5-4-11(8(13)14)2-1-6(5)9-10-7/h3H,1-2,4H2,(H,10,12)(H,13,14)
InChIKeyFAEOOLJEEPWITK-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.19
Rot. Bonds

About 3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxylic acid

3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxylic acid (PubChem CID 175581878) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxylic acid
PubChem CID175581878
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxylic acid
SMILESO=C(O)N1CCc2n[nH]c(=O)cc2C1
InChIInChI=1S/C8H9N3O3/c12-7-3-5-4-11(8(13)14)2-1-6(5)9-10-7/h3H,1-2,4H2,(H,10,12)(H,13,14)
InChIKeyFAEOOLJEEPWITK-UHFFFAOYSA-N
XLogP-0.19
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxylic acid?
The IUPAC name of 3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxylic acid (CID 175581878) is 3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxylic acid.
What is the SMILES notation for 3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxylic acid?
The canonical SMILES for 3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxylic acid is O=C(O)N1CCc2n[nH]c(=O)cc2C1.
What is the InChIKey of 3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxylic acid?
The InChIKey is FAEOOLJEEPWITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c12-7-3-5-4-11(8(13)14)2-1-6(5)9-10-7/h3H,1-2,4H2,(H,10,12)(H,13,14).
What are the key properties of 3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxylic acid?
3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxylic acid has a molecular weight of 195.18 g/mol, XLogP of -0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxylic acid is sourced from PubChem (CID 175581878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).