triazine-4-carboxylic acid

C4H3N3O2 — CID 18941882

IUPACtriazine-4-carboxylic acid
SMILESO=C(O)c1ccnnn1
InChIInChI=1S/C4H3N3O2/c8-4(9)3-1-2-5-7-6-3/h1-2H,(H,8,9)
InChIKeyUCAJPHQTEWYXEA-UHFFFAOYSA-N
MW125.09 g/mol
LogP-0.43
Rot. Bonds1

About triazine-4-carboxylic acid

triazine-4-carboxylic acid (PubChem CID 18941882) has the molecular formula C4H3N3O2 and a molecular weight of 125.09 g/mol. Its IUPAC name is triazine-4-carboxylic acid.

Molecular Properties

Compound Nametriazine-4-carboxylic acid
PubChem CID18941882
Molecular FormulaC4H3N3O2
Molecular Weight125.09 g/mol
Exact Mass125.02
IUPAC Nametriazine-4-carboxylic acid
SMILESO=C(O)c1ccnnn1
InChIInChI=1S/C4H3N3O2/c8-4(9)3-1-2-5-7-6-3/h1-2H,(H,8,9)
InChIKeyUCAJPHQTEWYXEA-UHFFFAOYSA-N
XLogP-0.43
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.09
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze triazine-4-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 triazine-4-carboxylic acid?
The IUPAC name of triazine-4-carboxylic acid (CID 18941882) is triazine-4-carboxylic acid.
What is the SMILES notation for triazine-4-carboxylic acid?
The canonical SMILES for triazine-4-carboxylic acid is O=C(O)c1ccnnn1.
What is the InChIKey of triazine-4-carboxylic acid?
The InChIKey is UCAJPHQTEWYXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3O2/c8-4(9)3-1-2-5-7-6-3/h1-2H,(H,8,9).
What are the key properties of triazine-4-carboxylic acid?
triazine-4-carboxylic acid has a molecular weight of 125.09 g/mol, XLogP of -0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triazine-4-carboxylic acid is sourced from PubChem (CID 18941882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).