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

C8H16N4 — CID 164772604

IUPAC3-cyclopropyl-1,2,3,5,6,7,8,8a-octahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC1CN2C(CN1)NNC2C1CC1
InChIInChI=1S/C8H16N4/c1-2-6(1)8-11-10-7-5-9-3-4-12(7)8/h6-11H,1-5H2
InChIKeySRJLAZZAPWONJF-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.94
Rot. Bonds1

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

3-cyclopropyl-1,2,3,5,6,7,8,8a-octahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 164772604) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-cyclopropyl-1,2,3,5,6,7,8,8a-octahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-cyclopropyl-1,2,3,5,6,7,8,8a-octahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID164772604
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name3-cyclopropyl-1,2,3,5,6,7,8,8a-octahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC1CN2C(CN1)NNC2C1CC1
InChIInChI=1S/C8H16N4/c1-2-6(1)8-11-10-7-5-9-3-4-12(7)8/h6-11H,1-5H2
InChIKeySRJLAZZAPWONJF-UHFFFAOYSA-N
XLogP-0.94
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1,2,3,5,6,7,8,8a-octahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-cyclopropyl-1,2,3,5,6,7,8,8a-octahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 164772604) is 3-cyclopropyl-1,2,3,5,6,7,8,8a-octahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-cyclopropyl-1,2,3,5,6,7,8,8a-octahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-cyclopropyl-1,2,3,5,6,7,8,8a-octahydro-[1,2,4]triazolo[4,3-a]pyrazine is C1CN2C(CN1)NNC2C1CC1.
What is the InChIKey of 3-cyclopropyl-1,2,3,5,6,7,8,8a-octahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is SRJLAZZAPWONJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-2-6(1)8-11-10-7-5-9-3-4-12(7)8/h6-11H,1-5H2.
What are the key properties of 3-cyclopropyl-1,2,3,5,6,7,8,8a-octahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-cyclopropyl-1,2,3,5,6,7,8,8a-octahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 168.24 g/mol, XLogP of -0.94, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1,2,3,5,6,7,8,8a-octahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 164772604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).