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

C6H9N5O — CID 66599215

IUPAC5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
SMILESNC(=O)c1nnc2n1CCNC2
InChIInChI=1S/C6H9N5O/c7-5(12)6-10-9-4-3-8-1-2-11(4)6/h8H,1-3H2,(H2,7,12)
InChIKeyOTOSLUADNQZCIY-UHFFFAOYSA-N
MW167.17 g/mol
LogP-1.52
Rot. Bonds1

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

5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide (PubChem CID 66599215) has the molecular formula C6H9N5O and a molecular weight of 167.17 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
PubChem CID66599215
Molecular FormulaC6H9N5O
Molecular Weight167.17 g/mol
Exact Mass167.08
IUPAC Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
SMILESNC(=O)c1nnc2n1CCNC2
InChIInChI=1S/C6H9N5O/c7-5(12)6-10-9-4-3-8-1-2-11(4)6/h8H,1-3H2,(H2,7,12)
InChIKeyOTOSLUADNQZCIY-UHFFFAOYSA-N
XLogP-1.52
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-1.52
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-carboxamide?
The IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide (CID 66599215) is 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide.
What is the SMILES notation for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
The canonical SMILES for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide is NC(=O)c1nnc2n1CCNC2.
What is the InChIKey of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
The InChIKey is OTOSLUADNQZCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O/c7-5(12)6-10-9-4-3-8-1-2-11(4)6/h8H,1-3H2,(H2,7,12).
What are the key properties of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide has a molecular weight of 167.17 g/mol, XLogP of -1.52, 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-carboxamide is sourced from PubChem (CID 66599215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).