1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-8-carbonitrile

C12H13N3 — CID 162434267

IUPAC1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-8-carbonitrile
SMILESN#Cc1ccc2c(c1)CC1CNCCN21
InChIInChI=1S/C12H13N3/c13-7-9-1-2-12-10(5-9)6-11-8-14-3-4-15(11)12/h1-2,5,11,14H,3-4,6,8H2
InChIKeyASCIEFKEVPKMFY-UHFFFAOYSA-N
MW199.26 g/mol
LogP0.89
Rot. Bonds

About 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-8-carbonitrile

1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-8-carbonitrile (PubChem CID 162434267) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-8-carbonitrile.

Molecular Properties

Compound Name1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-8-carbonitrile
PubChem CID162434267
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-8-carbonitrile
SMILESN#Cc1ccc2c(c1)CC1CNCCN21
InChIInChI=1S/C12H13N3/c13-7-9-1-2-12-10(5-9)6-11-8-14-3-4-15(11)12/h1-2,5,11,14H,3-4,6,8H2
InChIKeyASCIEFKEVPKMFY-UHFFFAOYSA-N
XLogP0.89
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-8-carbonitrile?
The IUPAC name of 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-8-carbonitrile (CID 162434267) is 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-8-carbonitrile.
What is the SMILES notation for 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-8-carbonitrile?
The canonical SMILES for 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-8-carbonitrile is N#Cc1ccc2c(c1)CC1CNCCN21.
What is the InChIKey of 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-8-carbonitrile?
The InChIKey is ASCIEFKEVPKMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c13-7-9-1-2-12-10(5-9)6-11-8-14-3-4-15(11)12/h1-2,5,11,14H,3-4,6,8H2.
What are the key properties of 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-8-carbonitrile?
1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-8-carbonitrile has a molecular weight of 199.26 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-8-carbonitrile is sourced from PubChem (CID 162434267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).