5a,6,7,8,9,9a-hexahydro-5H-pyrazino[2,3-b]indole

C10H13N3 — CID 59318443

IUPAC5a,6,7,8,9,9a-hexahydro-5H-pyrazino[2,3-b]indole
SMILESc1cnc2c(n1)NC1CCCCC21
InChIInChI=1S/C10H13N3/c1-2-4-8-7(3-1)9-10(13-8)12-6-5-11-9/h5-8H,1-4H2,(H,12,13)
InChIKeyDINUEIXSDAJTRS-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.93
Rot. Bonds

About 5a,6,7,8,9,9a-hexahydro-5H-pyrazino[2,3-b]indole

5a,6,7,8,9,9a-hexahydro-5H-pyrazino[2,3-b]indole (PubChem CID 59318443) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 5a,6,7,8,9,9a-hexahydro-5H-pyrazino[2,3-b]indole.

Molecular Properties

Compound Name5a,6,7,8,9,9a-hexahydro-5H-pyrazino[2,3-b]indole
PubChem CID59318443
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name5a,6,7,8,9,9a-hexahydro-5H-pyrazino[2,3-b]indole
SMILESc1cnc2c(n1)NC1CCCCC21
InChIInChI=1S/C10H13N3/c1-2-4-8-7(3-1)9-10(13-8)12-6-5-11-9/h5-8H,1-4H2,(H,12,13)
InChIKeyDINUEIXSDAJTRS-UHFFFAOYSA-N
XLogP1.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6aS,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[3,2-b]quinoxaline
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CID 79293397
(6aS,10aS)-5,6,6a,7,8,9,10,10a-octahydropyrimido[5,4-c]quinoline
CID 125451162
2,5-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene
CID 90971320
(1R,4R,9R,12R,17R,20R)-2,10,18-triazatetracyclo[18.4.0.04,9.012,17]tetracosane-3,11,19-trione
CID 11646502
(12R)-13-azabicyclo[10.2.0]tetradecan-14-one
CID 58388573
(4aR,8aR)-4a,5,6,7,8,8a-hexahydro-1H-quinolin-4-one
CID 102254658
(4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole
CID 143386629
(4aR,8aR)-4-hydroxy-4a,5,6,7,8,8a-hexahydro-1H-quinoline-2-thione
CID 136791169
(11S)-11-methyl-9,12-diazabicyclo[6.5.0]tridecane-10,13-dione
CID 101377557
carbanide;manganese;(4S,9S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;yttrium
CID 58292386
6-azabicyclo[3.2.0]heptan-7-one
CID 549320

Frequently Asked Questions

What is the IUPAC name of 5a,6,7,8,9,9a-hexahydro-5H-pyrazino[2,3-b]indole?
The IUPAC name of 5a,6,7,8,9,9a-hexahydro-5H-pyrazino[2,3-b]indole (CID 59318443) is 5a,6,7,8,9,9a-hexahydro-5H-pyrazino[2,3-b]indole.
What is the SMILES notation for 5a,6,7,8,9,9a-hexahydro-5H-pyrazino[2,3-b]indole?
The canonical SMILES for 5a,6,7,8,9,9a-hexahydro-5H-pyrazino[2,3-b]indole is c1cnc2c(n1)NC1CCCCC21.
What is the InChIKey of 5a,6,7,8,9,9a-hexahydro-5H-pyrazino[2,3-b]indole?
The InChIKey is DINUEIXSDAJTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-2-4-8-7(3-1)9-10(13-8)12-6-5-11-9/h5-8H,1-4H2,(H,12,13).
What are the key properties of 5a,6,7,8,9,9a-hexahydro-5H-pyrazino[2,3-b]indole?
5a,6,7,8,9,9a-hexahydro-5H-pyrazino[2,3-b]indole has a molecular weight of 175.24 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5a,6,7,8,9,9a-hexahydro-5H-pyrazino[2,3-b]indole is sourced from PubChem (CID 59318443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).