5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-7-ium

C5H9N4+ — CID 51650748

IUPAC5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-7-ium
SMILESc1nc2n(n1)CC[NH2+]C2
InChIInChI=1S/C5H8N4/c1-2-9-5(3-6-1)7-4-8-9/h4,6H,1-3H2/p+1
InChIKeyDXJKRLHHCGXHMB-UHFFFAOYSA-O
MW125.15 g/mol
LogP-1.64
Rot. Bonds

About 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-7-ium

5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-7-ium (PubChem CID 51650748) has the molecular formula C5H9N4+ and a molecular weight of 125.15 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-7-ium.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-7-ium
PubChem CID51650748
Molecular FormulaC5H9N4+
Molecular Weight125.15 g/mol
Exact Mass125.08
IUPAC Name5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-7-ium
SMILESc1nc2n(n1)CC[NH2+]C2
InChIInChI=1S/C5H8N4/c1-2-9-5(3-6-1)7-4-8-9/h4,6H,1-3H2/p+1
InChIKeyDXJKRLHHCGXHMB-UHFFFAOYSA-O
XLogP-1.64
TPSA47.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 5-1.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-7-ium?
The IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-7-ium (CID 51650748) is 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-7-ium.
What is the SMILES notation for 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-7-ium?
The canonical SMILES for 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-7-ium is c1nc2n(n1)CC[NH2+]C2.
What is the InChIKey of 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-7-ium?
The InChIKey is DXJKRLHHCGXHMB-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H8N4/c1-2-9-5(3-6-1)7-4-8-9/h4,6H,1-3H2/p+1.
What are the key properties of 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-7-ium?
5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-7-ium has a molecular weight of 125.15 g/mol, XLogP of -1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-7-ium is sourced from PubChem (CID 51650748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).