3,6-dioxo-5,7,8,8a-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-1-carboxylic acid

C6H8N4O4 — CID 142956580

IUPAC3,6-dioxo-5,7,8,8a-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-1-carboxylic acid
SMILESO=C1CN2C(=O)NN(C(=O)O)C2CN1
InChIInChI=1S/C6H8N4O4/c11-3-2-9-4(1-7-3)10(6(13)14)8-5(9)12/h4H,1-2H2,(H,7,11)(H,8,12)(H,13,14)
InChIKeyLYWWENWOFCNHIR-UHFFFAOYSA-N
MW200.15 g/mol
LogP-1.64
Rot. Bonds

About 3,6-dioxo-5,7,8,8a-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-1-carboxylic acid

3,6-dioxo-5,7,8,8a-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-1-carboxylic acid (PubChem CID 142956580) has the molecular formula C6H8N4O4 and a molecular weight of 200.15 g/mol. Its IUPAC name is 3,6-dioxo-5,7,8,8a-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-1-carboxylic acid.

Molecular Properties

Compound Name3,6-dioxo-5,7,8,8a-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-1-carboxylic acid
PubChem CID142956580
Molecular FormulaC6H8N4O4
Molecular Weight200.15 g/mol
Exact Mass200.05
IUPAC Name3,6-dioxo-5,7,8,8a-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-1-carboxylic acid
SMILESO=C1CN2C(=O)NN(C(=O)O)C2CN1
InChIInChI=1S/C6H8N4O4/c11-3-2-9-4(1-7-3)10(6(13)14)8-5(9)12/h4H,1-2H2,(H,7,11)(H,8,12)(H,13,14)
InChIKeyLYWWENWOFCNHIR-UHFFFAOYSA-N
XLogP-1.64
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3,6-dioxo-5,7,8,8a-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-1-carboxylic acid with MolForge

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Related Compounds

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CID 67449201
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CID 141094094
2,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,6-dione
CID 164590118
5-oxo-1-sulfamoylpiperazine-2-carboxylic acid
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1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432929
6,11,18,23-tetraoxo-1,4,7,10,13,16,19,22-octazacyclotetracosane-1,4,13,16-tetracarboxylic acid
CID 100960085
1-octyl-5-oxopiperazine-2-carboxylic acid
CID 107439699
1-(cyclopropylmethylsulfonyl)-5-oxopiperazine-2-carboxylic acid
CID 107435332
1-(2-ethoxyethyl)-5-oxopiperazine-2-carboxylic acid
CID 107439843
8-hydroxy-1,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-2-one
CID 115107570
1-octanoyl-5-oxopiperazine-2-carboxylic acid
CID 107432834
1-(2-methylpropoxycarbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107435066

Frequently Asked Questions

What is the IUPAC name of 3,6-dioxo-5,7,8,8a-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-1-carboxylic acid?
The IUPAC name of 3,6-dioxo-5,7,8,8a-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-1-carboxylic acid (CID 142956580) is 3,6-dioxo-5,7,8,8a-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-1-carboxylic acid.
What is the SMILES notation for 3,6-dioxo-5,7,8,8a-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-1-carboxylic acid?
The canonical SMILES for 3,6-dioxo-5,7,8,8a-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-1-carboxylic acid is O=C1CN2C(=O)NN(C(=O)O)C2CN1.
What is the InChIKey of 3,6-dioxo-5,7,8,8a-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-1-carboxylic acid?
The InChIKey is LYWWENWOFCNHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O4/c11-3-2-9-4(1-7-3)10(6(13)14)8-5(9)12/h4H,1-2H2,(H,7,11)(H,8,12)(H,13,14).
What are the key properties of 3,6-dioxo-5,7,8,8a-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-1-carboxylic acid?
3,6-dioxo-5,7,8,8a-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-1-carboxylic acid has a molecular weight of 200.15 g/mol, XLogP of -1.64, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dioxo-5,7,8,8a-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-1-carboxylic acid is sourced from PubChem (CID 142956580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).