6-pyrazin-2-ylisoquinolin-1-amine

C13H10N4 — CID 123236793

IUPAC6-pyrazin-2-ylisoquinolin-1-amine
SMILESNc1nccc2cc(-c3cnccn3)ccc12
InChIInChI=1S/C13H10N4/c14-13-11-2-1-10(7-9(11)3-4-17-13)12-8-15-5-6-16-12/h1-8H,(H2,14,17)
InChIKeyLOLDTBVRLLXBQB-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.27
Rot. Bonds1

About 6-pyrazin-2-ylisoquinolin-1-amine

6-pyrazin-2-ylisoquinolin-1-amine (PubChem CID 123236793) has the molecular formula C13H10N4 and a molecular weight of 222.25 g/mol. Its IUPAC name is 6-pyrazin-2-ylisoquinolin-1-amine.

Molecular Properties

Compound Name6-pyrazin-2-ylisoquinolin-1-amine
PubChem CID123236793
Molecular FormulaC13H10N4
Molecular Weight222.25 g/mol
Exact Mass222.09
IUPAC Name6-pyrazin-2-ylisoquinolin-1-amine
SMILESNc1nccc2cc(-c3cnccn3)ccc12
InChIInChI=1S/C13H10N4/c14-13-11-2-1-10(7-9(11)3-4-17-13)12-8-15-5-6-16-12/h1-8H,(H2,14,17)
InChIKeyLOLDTBVRLLXBQB-UHFFFAOYSA-N
XLogP2.27
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrazin-2-yl-1,7-naphthyridin-8-amine
CID 23467623
2-(2-chloro-4-pyridinyl)pyrazine
CID 71615032
N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylisoquinolin-1-amine
CID 71617872
2-(2-phenyl-4-pyridinyl)pyrazine
CID 58421040
6-(3-methyl-5-pyrazin-2-ylphenyl)isoquinoline
CID 144553859
2-(2,3-dihydro-1H-inden-5-yl)pyrazine
CID 141313830
9-pyrazin-2-yl-7H-benzo[c]carbazole
CID 146507110
6-ethoxyisoquinolin-1-amine
CID 82062973
6-(methylaminomethyl)isoquinolin-1-amine
CID 139340899
2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58382626
3-amino-5-pyrazin-2-yl-1H-pyridin-2-one
CID 13456642
3-methyl-5-pyrazin-2-ylaniline
CID 107579564

Frequently Asked Questions

What is the IUPAC name of 6-pyrazin-2-ylisoquinolin-1-amine?
The IUPAC name of 6-pyrazin-2-ylisoquinolin-1-amine (CID 123236793) is 6-pyrazin-2-ylisoquinolin-1-amine.
What is the SMILES notation for 6-pyrazin-2-ylisoquinolin-1-amine?
The canonical SMILES for 6-pyrazin-2-ylisoquinolin-1-amine is Nc1nccc2cc(-c3cnccn3)ccc12.
What is the InChIKey of 6-pyrazin-2-ylisoquinolin-1-amine?
The InChIKey is LOLDTBVRLLXBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4/c14-13-11-2-1-10(7-9(11)3-4-17-13)12-8-15-5-6-16-12/h1-8H,(H2,14,17).
What are the key properties of 6-pyrazin-2-ylisoquinolin-1-amine?
6-pyrazin-2-ylisoquinolin-1-amine has a molecular weight of 222.25 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrazin-2-ylisoquinolin-1-amine is sourced from PubChem (CID 123236793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).