5-methyl-4-methylidene-6-oxo-1H-1,3,5-triazine-2-carboxylic acid

C6H7N3O3 — CID 136960320

IUPAC5-methyl-4-methylidene-6-oxo-1H-1,3,5-triazine-2-carboxylic acid
SMILESC=C1N=C(C(=O)O)NC(=O)N1C
InChIInChI=1S/C6H7N3O3/c1-3-7-4(5(10)11)8-6(12)9(3)2/h1H2,2H3,(H,10,11)(H,7,8,12)
InChIKeyCHZXQLDUFCTQBH-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.40
Rot. Bonds1

About 5-methyl-4-methylidene-6-oxo-1H-1,3,5-triazine-2-carboxylic acid

5-methyl-4-methylidene-6-oxo-1H-1,3,5-triazine-2-carboxylic acid (PubChem CID 136960320) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 5-methyl-4-methylidene-6-oxo-1H-1,3,5-triazine-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-methylidene-6-oxo-1H-1,3,5-triazine-2-carboxylic acid
PubChem CID136960320
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name5-methyl-4-methylidene-6-oxo-1H-1,3,5-triazine-2-carboxylic acid
SMILESC=C1N=C(C(=O)O)NC(=O)N1C
InChIInChI=1S/C6H7N3O3/c1-3-7-4(5(10)11)8-6(12)9(3)2/h1H2,2H3,(H,10,11)(H,7,8,12)
InChIKeyCHZXQLDUFCTQBH-UHFFFAOYSA-N
XLogP-0.40
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-methylidene-6-oxo-1H-1,3,5-triazine-2-carboxylic acid?
The IUPAC name of 5-methyl-4-methylidene-6-oxo-1H-1,3,5-triazine-2-carboxylic acid (CID 136960320) is 5-methyl-4-methylidene-6-oxo-1H-1,3,5-triazine-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-methylidene-6-oxo-1H-1,3,5-triazine-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-methylidene-6-oxo-1H-1,3,5-triazine-2-carboxylic acid is C=C1N=C(C(=O)O)NC(=O)N1C.
What is the InChIKey of 5-methyl-4-methylidene-6-oxo-1H-1,3,5-triazine-2-carboxylic acid?
The InChIKey is CHZXQLDUFCTQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-3-7-4(5(10)11)8-6(12)9(3)2/h1H2,2H3,(H,10,11)(H,7,8,12).
What are the key properties of 5-methyl-4-methylidene-6-oxo-1H-1,3,5-triazine-2-carboxylic acid?
5-methyl-4-methylidene-6-oxo-1H-1,3,5-triazine-2-carboxylic acid has a molecular weight of 169.14 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-methylidene-6-oxo-1H-1,3,5-triazine-2-carboxylic acid is sourced from PubChem (CID 136960320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).