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

C5H9N5 — CID 83872309

IUPAC5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESNc1nc2n(n1)CCNC2
InChIInChI=1S/C5H9N5/c6-5-8-4-3-7-1-2-10(4)9-5/h7H,1-3H2,(H2,6,9)
InChIKeyVMWDAFXSOPGHSJ-UHFFFAOYSA-N
MW139.16 g/mol
LogP-1.04
Rot. Bonds

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

5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (PubChem CID 83872309) has the molecular formula C5H9N5 and a molecular weight of 139.16 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
PubChem CID83872309
Molecular FormulaC5H9N5
Molecular Weight139.16 g/mol
Exact Mass139.09
IUPAC Name5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESNc1nc2n(n1)CCNC2
InChIInChI=1S/C5H9N5/c6-5-8-4-3-7-1-2-10(4)9-5/h7H,1-3H2,(H2,6,9)
InChIKeyVMWDAFXSOPGHSJ-UHFFFAOYSA-N
XLogP-1.04
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-1.04
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[1,5-a]pyrazin-2-amine?
The IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (CID 83872309) is 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.
What is the SMILES notation for 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The canonical SMILES for 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is Nc1nc2n(n1)CCNC2.
What is the InChIKey of 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The InChIKey is VMWDAFXSOPGHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5/c6-5-8-4-3-7-1-2-10(4)9-5/h7H,1-3H2,(H2,6,9).
What are the key properties of 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-amine has a molecular weight of 139.16 g/mol, XLogP of -1.04, 0 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[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 83872309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).