2-amino-4-oxo-3H-pteridine-6-carboxylic acid

C7H5N5O3 — CID 135403803

IUPAC2-amino-4-oxo-3H-pteridine-6-carboxylic acid
SMILESNc1nc2ncc(C(=O)O)nc2c(=O)[nH]1
InChIInChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h1H,(H,14,15)(H3,8,9,11,12,13)
InChIKeyQABAUCFGPWONOG-UHFFFAOYSA-N
MW207.15 g/mol
LogP-1.01
Rot. Bonds1

About 2-amino-4-oxo-3H-pteridine-6-carboxylic acid

2-amino-4-oxo-3H-pteridine-6-carboxylic acid (PubChem CID 135403803) has the molecular formula C7H5N5O3 and a molecular weight of 207.15 g/mol. Its IUPAC name is 2-amino-4-oxo-3H-pteridine-6-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-oxo-3H-pteridine-6-carboxylic acid
PubChem CID135403803
Molecular FormulaC7H5N5O3
Molecular Weight207.15 g/mol
Exact Mass207.04
IUPAC Name2-amino-4-oxo-3H-pteridine-6-carboxylic acid
SMILESNc1nc2ncc(C(=O)O)nc2c(=O)[nH]1
InChIInChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h1H,(H,14,15)(H3,8,9,11,12,13)
InChIKeyQABAUCFGPWONOG-UHFFFAOYSA-N
XLogP-1.01
TPSA134.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-oxo-3H-pteridine-6-carboxylic 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 2-amino-4-oxo-3H-pteridine-6-carboxylic acid?
The IUPAC name of 2-amino-4-oxo-3H-pteridine-6-carboxylic acid (CID 135403803) is 2-amino-4-oxo-3H-pteridine-6-carboxylic acid.
What is the SMILES notation for 2-amino-4-oxo-3H-pteridine-6-carboxylic acid?
The canonical SMILES for 2-amino-4-oxo-3H-pteridine-6-carboxylic acid is Nc1nc2ncc(C(=O)O)nc2c(=O)[nH]1.
What is the InChIKey of 2-amino-4-oxo-3H-pteridine-6-carboxylic acid?
The InChIKey is QABAUCFGPWONOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h1H,(H,14,15)(H3,8,9,11,12,13).
What are the key properties of 2-amino-4-oxo-3H-pteridine-6-carboxylic acid?
2-amino-4-oxo-3H-pteridine-6-carboxylic acid has a molecular weight of 207.15 g/mol, XLogP of -1.01, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-oxo-3H-pteridine-6-carboxylic acid is sourced from PubChem (CID 135403803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).