6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carbonitrile

C14H12N4 — CID 3645033

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carbonitrile
SMILESN#Cc1cncc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C14H12N4/c15-7-13-8-16-9-14(17-13)18-6-5-11-3-1-2-4-12(11)10-18/h1-4,8-9H,5-6,10H2
InChIKeyJJNNIKDAAAVADT-UHFFFAOYSA-N
MW236.28 g/mol
LogP1.91
Rot. Bonds1

About 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carbonitrile

6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carbonitrile (PubChem CID 3645033) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carbonitrile
PubChem CID3645033
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carbonitrile
SMILESN#Cc1cncc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C14H12N4/c15-7-13-8-16-9-14(17-13)18-6-5-11-3-1-2-4-12(11)10-18/h1-4,8-9H,5-6,10H2
InChIKeyJJNNIKDAAAVADT-UHFFFAOYSA-N
XLogP1.91
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carbonitrile?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carbonitrile (CID 3645033) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carbonitrile is N#Cc1cncc(N2CCc3ccccc3C2)n1.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carbonitrile?
The InChIKey is JJNNIKDAAAVADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c15-7-13-8-16-9-14(17-13)18-6-5-11-3-1-2-4-12(11)10-18/h1-4,8-9H,5-6,10H2.
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carbonitrile?
6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carbonitrile has a molecular weight of 236.28 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 3645033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).