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

C8H12N4 — CID 34176341

IUPAC3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC1Cn2c(nnc2C2CC2)CN1
InChIInChI=1S/C8H12N4/c1-2-6(1)8-11-10-7-5-9-3-4-12(7)8/h6,9H,1-5H2
InChIKeyXVXXWVBIKKLTRG-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.26
Rot. Bonds1

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

3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 34176341) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID34176341
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC1Cn2c(nnc2C2CC2)CN1
InChIInChI=1S/C8H12N4/c1-2-6(1)8-11-10-7-5-9-3-4-12(7)8/h6,9H,1-5H2
InChIKeyXVXXWVBIKKLTRG-UHFFFAOYSA-N
XLogP0.26
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 34176341) is 3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is C1Cn2c(nnc2C2CC2)CN1.
What is the InChIKey of 3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is XVXXWVBIKKLTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-2-6(1)8-11-10-7-5-9-3-4-12(7)8/h6,9H,1-5H2.
What are the key properties of 3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 164.21 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 34176341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).