7H-pyrazino[1,2-b]isoquinoline

C12H10N2 — CID 91176376

IUPAC7H-pyrazino[1,2-b]isoquinoline
SMILESC1=CCC2=CN3C=CN=CC3=CC2=C1
InChIInChI=1S/C12H10N2/c1-2-4-11-9-14-6-5-13-8-12(14)7-10(11)3-1/h1-3,5-9H,4H2
InChIKeyPUHLNZAXVIJFEZ-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.51
Rot. Bonds

About 7H-pyrazino[1,2-b]isoquinoline

7H-pyrazino[1,2-b]isoquinoline (PubChem CID 91176376) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 7H-pyrazino[1,2-b]isoquinoline.

Molecular Properties

Compound Name7H-pyrazino[1,2-b]isoquinoline
PubChem CID91176376
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name7H-pyrazino[1,2-b]isoquinoline
SMILESC1=CCC2=CN3C=CN=CC3=CC2=C1
InChIInChI=1S/C12H10N2/c1-2-4-11-9-14-6-5-13-8-12(14)7-10(11)3-1/h1-3,5-9H,4H2
InChIKeyPUHLNZAXVIJFEZ-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrazino[1,2-b]isoquinoline
CID 118184971
Pyrazino[2,1-b]quinazoline
CID 129653308
3-methylidene-1-(3-methylidenecyclohexa-1,5-dien-1-yl)-4H-pyridin-1-ium
CID 90880239
7aH-pyrazino[2,1-a]isoquinoline
CID 90945867
9H-pyrimido[1,2-a]quinoline
CID 91449658
1-Methylpyrrolo[3,4-h]quinoline
CID 129781803
8H-pyrido[1,2-a]pyrazine
CID 13337709
[1,4]Diazepino[2,1-g][1,7]naphthyridine
CID 19067743
1-Methanidyl-10-methylidene-1,10-phenanthrolin-10-ium
CID 20740736
7aH-pyrimido[2,1-a]isoquinoline
CID 57201531
1,4-Diazatricyclo[7.3.1.05,13]trideca-3,5(13),6,9,11-pentaene
CID 57207223
2H-pyrazino[2,3-b]quinolizine
CID 57315050

Frequently Asked Questions

What is the IUPAC name of 7H-pyrazino[1,2-b]isoquinoline?
The IUPAC name of 7H-pyrazino[1,2-b]isoquinoline (CID 91176376) is 7H-pyrazino[1,2-b]isoquinoline.
What is the SMILES notation for 7H-pyrazino[1,2-b]isoquinoline?
The canonical SMILES for 7H-pyrazino[1,2-b]isoquinoline is C1=CCC2=CN3C=CN=CC3=CC2=C1.
What is the InChIKey of 7H-pyrazino[1,2-b]isoquinoline?
The InChIKey is PUHLNZAXVIJFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-4-11-9-14-6-5-13-8-12(14)7-10(11)3-1/h1-3,5-9H,4H2.
What are the key properties of 7H-pyrazino[1,2-b]isoquinoline?
7H-pyrazino[1,2-b]isoquinoline has a molecular weight of 182.23 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrazino[1,2-b]isoquinoline is sourced from PubChem (CID 91176376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).