6-pyridin-3-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carbonitrile

C13H12N4 — CID 141064678

IUPAC6-pyridin-3-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carbonitrile
SMILESN#Cc1cc2n(c1-c1cccnc1)CCNC2
InChIInChI=1S/C13H12N4/c14-7-11-6-12-9-16-4-5-17(12)13(11)10-2-1-3-15-8-10/h1-3,6,8,16H,4-5,9H2
InChIKeyNOCIOLAOCXSTGO-UHFFFAOYSA-N
MW224.27 g/mol
LogP1.52
Rot. Bonds1

About 6-pyridin-3-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carbonitrile

6-pyridin-3-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carbonitrile (PubChem CID 141064678) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 6-pyridin-3-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carbonitrile.

Molecular Properties

Compound Name6-pyridin-3-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carbonitrile
PubChem CID141064678
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name6-pyridin-3-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carbonitrile
SMILESN#Cc1cc2n(c1-c1cccnc1)CCNC2
InChIInChI=1S/C13H12N4/c14-7-11-6-12-9-16-4-5-17(12)13(11)10-2-1-3-15-8-10/h1-3,6,8,16H,4-5,9H2
InChIKeyNOCIOLAOCXSTGO-UHFFFAOYSA-N
XLogP1.52
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene
CID 82411599
3-pyridin-3-yl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile
CID 13375485
2,5-dipyridin-3-ylbenzonitrile
CID 46316425
1-(3-pyridin-3-ylphenyl)piperazine
CID 150431219
2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile
CID 136995779
(8-cyano-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl) hydrogen carbonate
CID 142776099
5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 56863104
4-fluoro-2-pyridin-3-ylbenzonitrile
CID 46315558
3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 82469408
4-chloro-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
CID 175342274
2-bromo-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
CID 21255187
2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile
CID 82567404

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carbonitrile?
The IUPAC name of 6-pyridin-3-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carbonitrile (CID 141064678) is 6-pyridin-3-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carbonitrile.
What is the SMILES notation for 6-pyridin-3-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carbonitrile?
The canonical SMILES for 6-pyridin-3-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carbonitrile is N#Cc1cc2n(c1-c1cccnc1)CCNC2.
What is the InChIKey of 6-pyridin-3-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carbonitrile?
The InChIKey is NOCIOLAOCXSTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c14-7-11-6-12-9-16-4-5-17(12)13(11)10-2-1-3-15-8-10/h1-3,6,8,16H,4-5,9H2.
What are the key properties of 6-pyridin-3-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carbonitrile?
6-pyridin-3-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carbonitrile has a molecular weight of 224.27 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carbonitrile is sourced from PubChem (CID 141064678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).