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

C6H8N4O2 — CID 55264502

IUPAC5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid
SMILESO=C(O)c1nnc2n1CCNC2
InChIInChI=1S/C6H8N4O2/c11-6(12)5-9-8-4-3-7-1-2-10(4)5/h7H,1-3H2,(H,11,12)
InChIKeyJLTDJCROUWNOJI-UHFFFAOYSA-N
MW168.16 g/mol
LogP-0.92
Rot. Bonds1

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

5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid (PubChem CID 55264502) 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-3-carboxylic acid.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid
PubChem CID55264502
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid
SMILESO=C(O)c1nnc2n1CCNC2
InChIInChI=1S/C6H8N4O2/c11-6(12)5-9-8-4-3-7-1-2-10(4)5/h7H,1-3H2,(H,11,12)
InChIKeyJLTDJCROUWNOJI-UHFFFAOYSA-N
XLogP-0.92
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 ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid?
The IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid (CID 55264502) is 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid.
What is the SMILES notation for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid?
The canonical SMILES for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid is O=C(O)c1nnc2n1CCNC2.
What is the InChIKey of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid?
The InChIKey is JLTDJCROUWNOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c11-6(12)5-9-8-4-3-7-1-2-10(4)5/h7H,1-3H2,(H,11,12).
What are the key properties of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid?
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid has a molecular weight of 168.16 g/mol, XLogP of -0.92, 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-3-carboxylic acid is sourced from PubChem (CID 55264502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).