10,10a,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline

C12H14N2 — CID 57305163

IUPAC10,10a,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline
SMILESC1=CCC2CC3C=NC=CN3CC2=C1
InChIInChI=1S/C12H14N2/c1-2-4-11-9-14-6-5-13-8-12(14)7-10(11)3-1/h1-2,4-6,8,10,12H,3,7,9H2
InChIKeyFPHFQYIZCMGVNY-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.12
Rot. Bonds

About 10,10a,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline

10,10a,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline (PubChem CID 57305163) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 10,10a,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline.

Molecular Properties

Compound Name10,10a,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline
PubChem CID57305163
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name10,10a,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline
SMILESC1=CCC2CC3C=NC=CN3CC2=C1
InChIInChI=1S/C12H14N2/c1-2-4-11-9-14-6-5-13-8-12(14)7-10(11)3-1/h1-2,4-6,8,10,12H,3,7,9H2
InChIKeyFPHFQYIZCMGVNY-UHFFFAOYSA-N
XLogP2.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,11,11a,11b-Tetrahydrobenzo[a]quinolizin-7-imine
CID 91478953
1,2,3,4,7,11,11a,11b-Octahydrobenzo[a]quinolizin-5-ium chloride
CID 21584314
1,2,3,4,7,11,11a,11b-Octahydrobenzo[a]quinolizin-5-ium
CID 21584315
6a,9,10,10a,11,11a-hexahydro-6H-pyrazino[1,2-b]isoquinoline
CID 57322912
ethane;methane;(7E)-7-[(3Z,5Z)-1-(4-methylpiperidin-1-yl)octa-3,5-dienyl]-3,6-dihydroazocine
CID 143637234
1-[1-(3,4-Dihydropyridin-4-ylmethyl)-6-ethyl-4,4-dimethyl-2,3,4a,8a-tetrahydroquinolin-7-yl]ethanamine
CID 144086528
9-Methyl-2-aza-9-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene
CID 10663489
(7E)-7-[(3Z,5Z)-1-(4-methylpiperidin-1-yl)octa-3,5-dienyl]-3,6-dihydroazocine
CID 143637235

Frequently Asked Questions

What is the IUPAC name of 10,10a,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline?
The IUPAC name of 10,10a,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline (CID 57305163) is 10,10a,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline.
What is the SMILES notation for 10,10a,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline?
The canonical SMILES for 10,10a,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline is C1=CCC2CC3C=NC=CN3CC2=C1.
What is the InChIKey of 10,10a,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline?
The InChIKey is FPHFQYIZCMGVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-4-11-9-14-6-5-13-8-12(14)7-10(11)3-1/h1-2,4-6,8,10,12H,3,7,9H2.
What are the key properties of 10,10a,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline?
10,10a,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline has a molecular weight of 186.26 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10a,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline is sourced from PubChem (CID 57305163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).