1,2,3,4-tetrahydropyrazino[1,2-a]indole

C11H12N2 — CID 14595509

IUPAC1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESc1ccc2c(c1)cc1n2CCNC1
InChIInChI=1S/C11H12N2/c1-2-4-11-9(3-1)7-10-8-12-5-6-13(10)11/h1-4,7,12H,5-6,8H2
InChIKeyAEIDURNZWCNQIM-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.74
Rot. Bonds

About 1,2,3,4-tetrahydropyrazino[1,2-a]indole

1,2,3,4-tetrahydropyrazino[1,2-a]indole (PubChem CID 14595509) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1,2,3,4-tetrahydropyrazino[1,2-a]indole.

Molecular Properties

Compound Name1,2,3,4-tetrahydropyrazino[1,2-a]indole
PubChem CID14595509
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESc1ccc2c(c1)cc1n2CCNC1
InChIInChI=1S/C11H12N2/c1-2-4-11-9(3-1)7-10-8-12-5-6-13(10)11/h1-4,7,12H,5-6,8H2
InChIKeyAEIDURNZWCNQIM-UHFFFAOYSA-N
XLogP1.74
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The IUPAC name of 1,2,3,4-tetrahydropyrazino[1,2-a]indole (CID 14595509) is 1,2,3,4-tetrahydropyrazino[1,2-a]indole.
What is the SMILES notation for 1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The canonical SMILES for 1,2,3,4-tetrahydropyrazino[1,2-a]indole is c1ccc2c(c1)cc1n2CCNC1.
What is the InChIKey of 1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The InChIKey is AEIDURNZWCNQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-4-11-9(3-1)7-10-8-12-5-6-13(10)11/h1-4,7,12H,5-6,8H2.
What are the key properties of 1,2,3,4-tetrahydropyrazino[1,2-a]indole?
1,2,3,4-tetrahydropyrazino[1,2-a]indole has a molecular weight of 172.23 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydropyrazino[1,2-a]indole is sourced from PubChem (CID 14595509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).