pyrazino[1,2-a]indole

C11H8N2 — CID 13143754

IUPACpyrazino[1,2-a]indole
SMILESc1ccc2c(c1)cc1cnccn12
InChIInChI=1S/C11H8N2/c1-2-4-11-9(3-1)7-10-8-12-5-6-13(10)11/h1-8H
InChIKeyGCZDLZHMAMLSJF-UHFFFAOYSA-N
MW168.20 g/mol
LogP2.49
Rot. Bonds

About pyrazino[1,2-a]indole

pyrazino[1,2-a]indole (PubChem CID 13143754) has the molecular formula C11H8N2 and a molecular weight of 168.20 g/mol. Its IUPAC name is pyrazino[1,2-a]indole.

Molecular Properties

Compound Namepyrazino[1,2-a]indole
PubChem CID13143754
Molecular FormulaC11H8N2
Molecular Weight168.20 g/mol
Exact Mass168.07
IUPAC Namepyrazino[1,2-a]indole
SMILESc1ccc2c(c1)cc1cnccn12
InChIInChI=1S/C11H8N2/c1-2-4-11-9(3-1)7-10-8-12-5-6-13(10)11/h1-8H
InChIKeyGCZDLZHMAMLSJF-UHFFFAOYSA-N
XLogP2.49
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrazino[1,2-a]indole?
The IUPAC name of pyrazino[1,2-a]indole (CID 13143754) is pyrazino[1,2-a]indole.
What is the SMILES notation for pyrazino[1,2-a]indole?
The canonical SMILES for pyrazino[1,2-a]indole is c1ccc2c(c1)cc1cnccn12.
What is the InChIKey of pyrazino[1,2-a]indole?
The InChIKey is GCZDLZHMAMLSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2/c1-2-4-11-9(3-1)7-10-8-12-5-6-13(10)11/h1-8H.
What are the key properties of pyrazino[1,2-a]indole?
pyrazino[1,2-a]indole has a molecular weight of 168.20 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazino[1,2-a]indole is sourced from PubChem (CID 13143754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).