5-(2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile

C13H10N4 — CID 63660506

IUPAC5-(2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCc3ccccc32)cn1
InChIInChI=1S/C13H10N4/c14-7-11-8-16-13(9-15-11)17-6-5-10-3-1-2-4-12(10)17/h1-4,8-9H,5-6H2
InChIKeyZEQSEHVJBNGPGH-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.04
Rot. Bonds1

About 5-(2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile

5-(2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile (PubChem CID 63660506) has the molecular formula C13H10N4 and a molecular weight of 222.25 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile
PubChem CID63660506
Molecular FormulaC13H10N4
Molecular Weight222.25 g/mol
Exact Mass222.09
IUPAC Name5-(2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCc3ccccc32)cn1
InChIInChI=1S/C13H10N4/c14-7-11-8-16-13(9-15-11)17-6-5-10-3-1-2-4-12(10)17/h1-4,8-9H,5-6H2
InChIKeyZEQSEHVJBNGPGH-UHFFFAOYSA-N
XLogP2.04
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Fadrozole
CID 59693
Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo(1,5-a)pyridin-5-yl)-, hydrochloride (1:1)
CID 59694
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319
4-[(5r)-5,6,7,8-Tetrahydroimidazo[1,5-A]pyridin-5-Yl]benzonitrile
CID 9815923
3-Phenylimidazo(1,5-a)pyridine
CID 606670
2-Phenylimidazo(1,2-a)pyridin-3-amine
CID 199307
2-Phenylimidazo(1,2-a)pyridine
CID 201136
3-(4-Pyridin-2-yl-imidazol-1-yl)-benzonitrile
CID 11242036
(-)-Fadrozole
CID 13688212
8-Methyl-2-phenylimidazo(1,2-a)pyridin-3-amine
CID 2771075
2-Phenylimidazo(1,2-a)pyrimidin-3-amine
CID 16740829
1-(4-Cyanobenzyl)-5-(4-pyridyl)-1H-imidazole
CID 45103911

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile?
The IUPAC name of 5-(2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile (CID 63660506) is 5-(2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile is N#Cc1cnc(N2CCc3ccccc32)cn1.
What is the InChIKey of 5-(2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile?
The InChIKey is ZEQSEHVJBNGPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4/c14-7-11-8-16-13(9-15-11)17-6-5-10-3-1-2-4-12(10)17/h1-4,8-9H,5-6H2.
What are the key properties of 5-(2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile?
5-(2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile has a molecular weight of 222.25 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 63660506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).