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

C6H8N4O2 — CID 167724267

IUPAC5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylic acid
SMILESO=C(O)C1NCCn2cnnc21
InChIInChI=1S/C6H8N4O2/c11-6(12)4-5-9-8-3-10(5)2-1-7-4/h3-4,7H,1-2H2,(H,11,12)
InChIKeyGQMJMMWYSXWQDZ-UHFFFAOYSA-N
MW168.16 g/mol
LogP-0.99
Rot. Bonds1

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

5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylic acid (PubChem CID 167724267) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylic acid.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylic acid
PubChem CID167724267
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylic acid
SMILESO=C(O)C1NCCn2cnnc21
InChIInChI=1S/C6H8N4O2/c11-6(12)4-5-9-8-3-10(5)2-1-7-4/h3-4,7H,1-2H2,(H,11,12)
InChIKeyGQMJMMWYSXWQDZ-UHFFFAOYSA-N
XLogP-0.99
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine-6-carboxylate
CID 122163301
5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid dihydrochloride
CID 132323943
sodium 5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine-8-carboxylate
CID 167724266
3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylic acid
CID 123599709
(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;2,2,2-trifluoroacetic acid
CID 177757957
2-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanoic acid
CID 64574917
2-(methylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanoic acid
CID 64578449
2-(ethylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanoic acid
CID 64578646
2-methyl-2-(methylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanoic acid
CID 64579035
3-amino-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanoic acid
CID 64693352
2-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxylic acid
CID 84699244
5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
CID 132323944

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylic acid?
The IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylic acid (CID 167724267) is 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylic acid.
What is the SMILES notation for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylic acid?
The canonical SMILES for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylic acid is O=C(O)C1NCCn2cnnc21.
What is the InChIKey of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylic acid?
The InChIKey is GQMJMMWYSXWQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c11-6(12)4-5-9-8-3-10(5)2-1-7-4/h3-4,7H,1-2H2,(H,11,12).
What are the key properties of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylic acid?
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylic acid has a molecular weight of 168.16 g/mol, XLogP of -0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylic acid is sourced from PubChem (CID 167724267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).