7aH-pyrazino[2,1-a]isoquinoline

C12H10N2 — CID 90945867

IUPAC7aH-pyrazino[2,1-a]isoquinoline
SMILESC1=CC2=C3C=NC=CN3C=CC2C=C1
InChIInChI=1S/C12H10N2/c1-2-4-11-10(3-1)5-7-14-8-6-13-9-12(11)14/h1-10H
InChIKeyHKPJOLWSEKDCTE-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.37
Rot. Bonds

About 7aH-pyrazino[2,1-a]isoquinoline

7aH-pyrazino[2,1-a]isoquinoline (PubChem CID 90945867) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 7aH-pyrazino[2,1-a]isoquinoline.

Molecular Properties

Compound Name7aH-pyrazino[2,1-a]isoquinoline
PubChem CID90945867
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name7aH-pyrazino[2,1-a]isoquinoline
SMILESC1=CC2=C3C=NC=CN3C=CC2C=C1
InChIInChI=1S/C12H10N2/c1-2-4-11-10(3-1)5-7-14-8-6-13-9-12(11)14/h1-10H
InChIKeyHKPJOLWSEKDCTE-UHFFFAOYSA-N
XLogP2.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7aH-pyrazino[2,1-a]isoquinoline?
The IUPAC name of 7aH-pyrazino[2,1-a]isoquinoline (CID 90945867) is 7aH-pyrazino[2,1-a]isoquinoline.
What is the SMILES notation for 7aH-pyrazino[2,1-a]isoquinoline?
The canonical SMILES for 7aH-pyrazino[2,1-a]isoquinoline is C1=CC2=C3C=NC=CN3C=CC2C=C1.
What is the InChIKey of 7aH-pyrazino[2,1-a]isoquinoline?
The InChIKey is HKPJOLWSEKDCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-4-11-10(3-1)5-7-14-8-6-13-9-12(11)14/h1-10H.
What are the key properties of 7aH-pyrazino[2,1-a]isoquinoline?
7aH-pyrazino[2,1-a]isoquinoline has a molecular weight of 182.23 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7aH-pyrazino[2,1-a]isoquinoline is sourced from PubChem (CID 90945867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).