4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-6,7-dicarboxylic acid

C9H9N3O5 — CID 136651966

IUPAC4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-6,7-dicarboxylic acid
SMILESO=C(O)C1Cc2c(nc[nH]c2=O)CN1C(=O)O
InChIInChI=1S/C9H9N3O5/c13-7-4-1-6(8(14)15)12(9(16)17)2-5(4)10-3-11-7/h3,6H,1-2H2,(H,14,15)(H,16,17)(H,10,11,13)
InChIKeySRYVLJRHOOJIRP-UHFFFAOYSA-N
MW239.19 g/mol
LogP-0.74
Rot. Bonds1

About 4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-6,7-dicarboxylic acid

4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-6,7-dicarboxylic acid (PubChem CID 136651966) has the molecular formula C9H9N3O5 and a molecular weight of 239.19 g/mol. Its IUPAC name is 4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-6,7-dicarboxylic acid.

Molecular Properties

Compound Name4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-6,7-dicarboxylic acid
PubChem CID136651966
Molecular FormulaC9H9N3O5
Molecular Weight239.19 g/mol
Exact Mass239.05
IUPAC Name4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-6,7-dicarboxylic acid
SMILESO=C(O)C1Cc2c(nc[nH]c2=O)CN1C(=O)O
InChIInChI=1S/C9H9N3O5/c13-7-4-1-6(8(14)15)12(9(16)17)2-5(4)10-3-11-7/h3,6H,1-2H2,(H,14,15)(H,16,17)(H,10,11,13)
InChIKeySRYVLJRHOOJIRP-UHFFFAOYSA-N
XLogP-0.74
TPSA123.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-6,7-dicarboxylic 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 4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-6,7-dicarboxylic acid?
The IUPAC name of 4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-6,7-dicarboxylic acid (CID 136651966) is 4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-6,7-dicarboxylic acid.
What is the SMILES notation for 4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-6,7-dicarboxylic acid?
The canonical SMILES for 4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-6,7-dicarboxylic acid is O=C(O)C1Cc2c(nc[nH]c2=O)CN1C(=O)O.
What is the InChIKey of 4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-6,7-dicarboxylic acid?
The InChIKey is SRYVLJRHOOJIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O5/c13-7-4-1-6(8(14)15)12(9(16)17)2-5(4)10-3-11-7/h3,6H,1-2H2,(H,14,15)(H,16,17)(H,10,11,13).
What are the key properties of 4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-6,7-dicarboxylic acid?
4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-6,7-dicarboxylic acid has a molecular weight of 239.19 g/mol, XLogP of -0.74, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-6,7-dicarboxylic acid is sourced from PubChem (CID 136651966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).