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

C5H10N4 — CID 70311392

IUPAC2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC1CN2CNN=C2CN1
InChIInChI=1S/C5H10N4/c1-2-9-4-7-8-5(9)3-6-1/h6-7H,1-4H2
InChIKeyZPCHZEOKVSXCJH-UHFFFAOYSA-N
MW126.16 g/mol
LogP-1.23
Rot. Bonds

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

2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 70311392) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID70311392
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC1CN2CNN=C2CN1
InChIInChI=1S/C5H10N4/c1-2-9-4-7-8-5(9)3-6-1/h6-7H,1-4H2
InChIKeyZPCHZEOKVSXCJH-UHFFFAOYSA-N
XLogP-1.23
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 70311392) is 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine is C1CN2CNN=C2CN1.
What is the InChIKey of 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is ZPCHZEOKVSXCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-2-9-4-7-8-5(9)3-6-1/h6-7H,1-4H2.
What are the key properties of 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine?
2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 126.16 g/mol, XLogP of -1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 70311392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).