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

C5H5N3O3 — CID 135905248

IUPAC3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxylic acid
SMILESCc1nnc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C5H5N3O3/c1-2-6-4(9)3(5(10)11)8-7-2/h1H3,(H,10,11)(H,6,7,9)
InChIKeySFXCHQLLKLOGLR-UHFFFAOYSA-N
MW155.11 g/mol
LogP-0.83
Rot. Bonds1

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

3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxylic acid (PubChem CID 135905248) has the molecular formula C5H5N3O3 and a molecular weight of 155.11 g/mol. Its IUPAC name is 3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxylic acid
PubChem CID135905248
Molecular FormulaC5H5N3O3
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC Name3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxylic acid
SMILESCc1nnc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C5H5N3O3/c1-2-6-4(9)3(5(10)11)8-7-2/h1H3,(H,10,11)(H,6,7,9)
InChIKeySFXCHQLLKLOGLR-UHFFFAOYSA-N
XLogP-0.83
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-6-propan-2-yl-4H-1,2,4-triazin-5-one
CID 162772403
7-acetyl-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylic acid
CID 137157966
2-[(E)-2-carboxyethenyl]-5-methyl-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135468171
6-(1-aminoethyl)-3-methyl-4H-1,2,4-triazin-5-one
CID 137158008
3-carbamoyl-5-methyl-6-oxo-1H-pyrazine-2-carboxylic acid
CID 12619142
7-(2-hydroxypropan-2-yl)-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylic acid
CID 137157964
3-methyl-5-sulfanylidene-2H-1,2,4-triazine-6-carboxylic acid
CID 175084859
2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
CID 4186658
5-(aminomethyl)-2-methyl-1H-imidazole-4-carboxylic acid
CID 83670470
N-[1-(3-methyl-5-oxo-4H-1,2,4-triazin-6-yl)ethyl]acetamide;phosphoryl trichloride
CID 136653763
7-bromo-6-methyl-3-oxo-4H-quinoxaline-2-carboxylic acid
CID 59874547
2-iodo-5-methyl-1H-imidazole-4-carboxylic acid
CID 22939881

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxylic acid?
The IUPAC name of 3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxylic acid (CID 135905248) is 3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxylic acid.
What is the SMILES notation for 3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxylic acid?
The canonical SMILES for 3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxylic acid is Cc1nnc(C(=O)O)c(=O)[nH]1.
What is the InChIKey of 3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxylic acid?
The InChIKey is SFXCHQLLKLOGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3/c1-2-6-4(9)3(5(10)11)8-7-2/h1H3,(H,10,11)(H,6,7,9).
What are the key properties of 3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxylic acid?
3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxylic acid has a molecular weight of 155.11 g/mol, XLogP of -0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxylic acid is sourced from PubChem (CID 135905248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).