5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine

C13H14N4 — CID 80652373

IUPAC5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine
SMILESNc1cnc(N2CCc3ccccc3C2)cn1
InChIInChI=1S/C13H14N4/c14-12-7-16-13(8-15-12)17-6-5-10-3-1-2-4-11(10)9-17/h1-4,7-8H,5-6,9H2,(H2,14,15)
InChIKeyXLENKOCLNPJACR-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.62
Rot. Bonds1

About 5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine

5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine (PubChem CID 80652373) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine
PubChem CID80652373
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine
SMILESNc1cnc(N2CCc3ccccc3C2)cn1
InChIInChI=1S/C13H14N4/c14-12-7-16-13(8-15-12)17-6-5-10-3-1-2-4-11(10)9-17/h1-4,7-8H,5-6,9H2,(H2,14,15)
InChIKeyXLENKOCLNPJACR-UHFFFAOYSA-N
XLogP1.62
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazin-2-amine
CID 80652652
2-[5-(chloromethyl)pyrazin-2-yl]-3,4-dihydro-1H-isoquinoline
CID 107373295
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine
CID 80651956
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
CID 80831853
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N'-hydroxypyridine-3-carboximidamide
CID 24695377
(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol
CID 124502141
2-(5-iodopyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 115620482
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-amine
CID 16783390
4-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine
CID 1484265
(S)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]-phenylmethanol
CID 124502145
(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]propan-1-ol
CID 124502142

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine (CID 80652373) is 5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine is Nc1cnc(N2CCc3ccccc3C2)cn1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine?
The InChIKey is XLENKOCLNPJACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c14-12-7-16-13(8-15-12)17-6-5-10-3-1-2-4-11(10)9-17/h1-4,7-8H,5-6,9H2,(H2,14,15).
What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine?
5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine has a molecular weight of 226.28 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine is sourced from PubChem (CID 80652373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).