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

C12H10N2 — CID 118184969

IUPAC2H-pyrazino[1,2-b]isoquinoline
SMILESC1=CN2C=c3ccccc3=CC2=CN1
InChIInChI=1S/C12H10N2/c1-2-4-11-9-14-6-5-13-8-12(14)7-10(11)3-1/h1-9,13H
InChIKeyQLRSJXWBMUYYKE-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.44
Rot. Bonds

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

2H-pyrazino[1,2-b]isoquinoline (PubChem CID 118184969) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 2H-pyrazino[1,2-b]isoquinoline.

Molecular Properties

Compound Name2H-pyrazino[1,2-b]isoquinoline
PubChem CID118184969
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name2H-pyrazino[1,2-b]isoquinoline
SMILESC1=CN2C=c3ccccc3=CC2=CN1
InChIInChI=1S/C12H10N2/c1-2-4-11-9-14-6-5-13-8-12(14)7-10(11)3-1/h1-9,13H
InChIKeyQLRSJXWBMUYYKE-UHFFFAOYSA-N
XLogP0.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2H-benzo[b]quinolizine
CID 154105828
1H-isoquinolino[2,1-b]isoquinoline
CID 19964382
3H-[1,3]thiazolo[3,4-b]isoquinoline;hydrochloride
CID 172764105
3-iodo-2-methyl-3H-imidazo[1,5-b]isoquinoline
CID 143462531
fluoro(1,2,3,4,5,6-13C6)cyclohexatriene
CID 76973692
fluorobenzene;nickel
CID 175250202
cobalt;fluorobenzene
CID 139244086
fluorobenzene fluoride
CID 139243602
1H-pyrazine-3,4-diamine
CID 138583648
6-methyl-4-phenyl-1H-1,4-diazepin-7-one
CID 57151115
magnesium;fluorobenzene;hydride;hydrobromide
CID 173034545
fluorobenzene;fluoroform
CID 158907062

Frequently Asked Questions

What is the IUPAC name of 2H-pyrazino[1,2-b]isoquinoline?
The IUPAC name of 2H-pyrazino[1,2-b]isoquinoline (CID 118184969) is 2H-pyrazino[1,2-b]isoquinoline.
What is the SMILES notation for 2H-pyrazino[1,2-b]isoquinoline?
The canonical SMILES for 2H-pyrazino[1,2-b]isoquinoline is C1=CN2C=c3ccccc3=CC2=CN1.
What is the InChIKey of 2H-pyrazino[1,2-b]isoquinoline?
The InChIKey is QLRSJXWBMUYYKE-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/h1-9,13H.
What are the key properties of 2H-pyrazino[1,2-b]isoquinoline?
2H-pyrazino[1,2-b]isoquinoline has a molecular weight of 182.23 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrazino[1,2-b]isoquinoline is sourced from PubChem (CID 118184969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).