2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C17H22N4 — CID 79927493

IUPAC2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CCN3CCCC3C1)CCCC2
InChIInChI=1S/C17H22N4/c18-11-14-10-13-4-1-2-6-16(13)19-17(14)21-9-8-20-7-3-5-15(20)12-21/h10,15H,1-9,12H2
InChIKeyBNVFEKUXJZYOQP-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.12
Rot. Bonds1

About 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 79927493) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID79927493
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CCN3CCCC3C1)CCCC2
InChIInChI=1S/C17H22N4/c18-11-14-10-13-4-1-2-6-16(13)19-17(14)21-9-8-20-7-3-5-15(20)12-21/h10,15H,1-9,12H2
InChIKeyBNVFEKUXJZYOQP-UHFFFAOYSA-N
XLogP2.12
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

2-(3-hydroxypiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940480
2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126893638
2-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 82856125
2-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126947868
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 115559868
2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63627036
2-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63184392
1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)pyrrolidine-3-carboxamide
CID 103878001
2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126947507
2-[3-(methoxymethyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 64598310
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63267750
2-[2-(aminomethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 114399435

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 79927493) is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1cc2c(nc1N1CCN3CCCC3C1)CCCC2.
What is the InChIKey of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is BNVFEKUXJZYOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c18-11-14-10-13-4-1-2-6-16(13)19-17(14)21-9-8-20-7-3-5-15(20)12-21/h10,15H,1-9,12H2.
What are the key properties of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 282.39 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 79927493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).