2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrazine-2,5-diamine

C12H19N5 — CID 80653240

IUPAC2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrazine-2,5-diamine
SMILESNc1cnc(NC2CCN3CCCCC23)cn1
InChIInChI=1S/C12H19N5/c13-11-7-15-12(8-14-11)16-9-4-6-17-5-2-1-3-10(9)17/h7-10H,1-6H2,(H2,13,14)(H,15,16)
InChIKeyIFACQQXYQUVGJI-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.10
Rot. Bonds2

About 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrazine-2,5-diamine

2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrazine-2,5-diamine (PubChem CID 80653240) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrazine-2,5-diamine
PubChem CID80653240
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrazine-2,5-diamine
SMILESNc1cnc(NC2CCN3CCCCC23)cn1
InChIInChI=1S/C12H19N5/c13-11-7-15-12(8-14-11)16-9-4-6-17-5-2-1-3-10(9)17/h7-10H,1-6H2,(H2,13,14)(H,15,16)
InChIKeyIFACQQXYQUVGJI-UHFFFAOYSA-N
XLogP1.10
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrazine-2,5-diamine?
The IUPAC name of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrazine-2,5-diamine (CID 80653240) is 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrazine-2,5-diamine.
What is the SMILES notation for 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrazine-2,5-diamine?
The canonical SMILES for 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrazine-2,5-diamine is Nc1cnc(NC2CCN3CCCCC23)cn1.
What is the InChIKey of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrazine-2,5-diamine?
The InChIKey is IFACQQXYQUVGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c13-11-7-15-12(8-14-11)16-9-4-6-17-5-2-1-3-10(9)17/h7-10H,1-6H2,(H2,13,14)(H,15,16).
What are the key properties of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrazine-2,5-diamine?
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrazine-2,5-diamine has a molecular weight of 233.32 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrazine-2,5-diamine is sourced from PubChem (CID 80653240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).