4,6-dimethyl-1,3,5-triazine-2-carboxylic acid

C6H7N3O2 — CID 58078164

IUPAC4,6-dimethyl-1,3,5-triazine-2-carboxylic acid
SMILESCc1nc(C)nc(C(=O)O)n1
InChIInChI=1S/C6H7N3O2/c1-3-7-4(2)9-5(8-3)6(10)11/h1-2H3,(H,10,11)
InChIKeyFHUMVIOUEQQLIX-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.19
Rot. Bonds1

About 4,6-dimethyl-1,3,5-triazine-2-carboxylic acid

4,6-dimethyl-1,3,5-triazine-2-carboxylic acid (PubChem CID 58078164) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 4,6-dimethyl-1,3,5-triazine-2-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-1,3,5-triazine-2-carboxylic acid
PubChem CID58078164
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name4,6-dimethyl-1,3,5-triazine-2-carboxylic acid
SMILESCc1nc(C)nc(C(=O)O)n1
InChIInChI=1S/C6H7N3O2/c1-3-7-4(2)9-5(8-3)6(10)11/h1-2H3,(H,10,11)
InChIKeyFHUMVIOUEQQLIX-UHFFFAOYSA-N
XLogP0.19
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,6-dimethyl-1,3,5-triazine-2-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 4,6-dimethyl-1,3,5-triazine-2-carboxylic acid?
The IUPAC name of 4,6-dimethyl-1,3,5-triazine-2-carboxylic acid (CID 58078164) is 4,6-dimethyl-1,3,5-triazine-2-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-1,3,5-triazine-2-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-1,3,5-triazine-2-carboxylic acid is Cc1nc(C)nc(C(=O)O)n1.
What is the InChIKey of 4,6-dimethyl-1,3,5-triazine-2-carboxylic acid?
The InChIKey is FHUMVIOUEQQLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-3-7-4(2)9-5(8-3)6(10)11/h1-2H3,(H,10,11).
What are the key properties of 4,6-dimethyl-1,3,5-triazine-2-carboxylic acid?
4,6-dimethyl-1,3,5-triazine-2-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1,3,5-triazine-2-carboxylic acid is sourced from PubChem (CID 58078164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).