2-(1-pyrazin-2-ylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline

C16H18N4 — CID 121183729

IUPAC2-(1-pyrazin-2-ylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline
SMILESc1ccc2c(c1)CCN(C1CN(c3cnccn3)C1)C2
InChIInChI=1S/C16H18N4/c1-2-4-14-10-19(8-5-13(14)3-1)15-11-20(12-15)16-9-17-6-7-18-16/h1-4,6-7,9,15H,5,8,10-12H2
InChIKeyLHRHEUGJEYSLPS-UHFFFAOYSA-N
MW266.35 g/mol
LogP1.72
Rot. Bonds2

About 2-(1-pyrazin-2-ylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline

2-(1-pyrazin-2-ylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 121183729) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-(1-pyrazin-2-ylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(1-pyrazin-2-ylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID121183729
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-(1-pyrazin-2-ylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline
SMILESc1ccc2c(c1)CCN(C1CN(c3cnccn3)C1)C2
InChIInChI=1S/C16H18N4/c1-2-4-14-10-19(8-5-13(14)3-1)15-11-20(12-15)16-9-17-6-7-18-16/h1-4,6-7,9,15H,5,8,10-12H2
InChIKeyLHRHEUGJEYSLPS-UHFFFAOYSA-N
XLogP1.72
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-1,2,5-thiadiazole
CID 121183740
2-(1-pyridin-3-ylsulfonylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 121153642
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrazine
CID 126892909
2-(azetidin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 62785737
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 121153523
2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 18399942
5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine
CID 80652373
2-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 121153744
2-(2-pyridin-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-3,4-dihydro-1H-isoquinoline
CID 175774600
2-(3,5-dimethylpiperazin-1-yl)pyrazine
CID 62585562
3-pyrazin-2-yl-3,6-diazabicyclo[3.1.1]heptane
CID 151913625
5-(1-pyrimidin-2-ylazetidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 138988858

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrazin-2-ylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(1-pyrazin-2-ylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline (CID 121183729) is 2-(1-pyrazin-2-ylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(1-pyrazin-2-ylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(1-pyrazin-2-ylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline is c1ccc2c(c1)CCN(C1CN(c3cnccn3)C1)C2.
What is the InChIKey of 2-(1-pyrazin-2-ylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is LHRHEUGJEYSLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-4-14-10-19(8-5-13(14)3-1)15-11-20(12-15)16-9-17-6-7-18-16/h1-4,6-7,9,15H,5,8,10-12H2.
What are the key properties of 2-(1-pyrazin-2-ylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline?
2-(1-pyrazin-2-ylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 266.35 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrazin-2-ylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 121183729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).