3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)pyrazine-2-carbonitrile

C13H17N5 — CID 62673247

IUPAC3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NC1CCN2CCCCC12
InChIInChI=1S/C13H17N5/c14-9-11-13(16-6-5-15-11)17-10-4-8-18-7-2-1-3-12(10)18/h5-6,10,12H,1-4,7-8H2,(H,16,17)
InChIKeySWIVGGSUXMXIKI-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.39
Rot. Bonds2

About 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)pyrazine-2-carbonitrile

3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)pyrazine-2-carbonitrile (PubChem CID 62673247) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)pyrazine-2-carbonitrile
PubChem CID62673247
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NC1CCN2CCCCC12
InChIInChI=1S/C13H17N5/c14-9-11-13(16-6-5-15-11)17-10-4-8-18-7-2-1-3-12(10)18/h5-6,10,12H,1-4,7-8H2,(H,16,17)
InChIKeySWIVGGSUXMXIKI-UHFFFAOYSA-N
XLogP1.39
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclooctylamino)pyrazine-2-carbonitrile
CID 62671623
3-[(2-methylcyclohexyl)amino]pyrazine-2-carbonitrile
CID 62672162
N-(1-methylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 62133315
3-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carbonitrile
CID 115605254
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-methylpyrazin-2-one
CID 62940261
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-methylpyrimidine-5-carbonitrile
CID 112755086
N-(3,6-dimethylpyrazin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 65418838
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-ethylpyrazin-2-one
CID 62939189
N-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62133317
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80807918
N-(2,5-dichloropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 79632398
N-(pyrazin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 55110319

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)pyrazine-2-carbonitrile (CID 62673247) is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)pyrazine-2-carbonitrile is N#Cc1nccnc1NC1CCN2CCCCC12.
What is the InChIKey of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)pyrazine-2-carbonitrile?
The InChIKey is SWIVGGSUXMXIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c14-9-11-13(16-6-5-15-11)17-10-4-8-18-7-2-1-3-12(10)18/h5-6,10,12H,1-4,7-8H2,(H,16,17).
What are the key properties of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)pyrazine-2-carbonitrile?
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)pyrazine-2-carbonitrile has a molecular weight of 243.31 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 62673247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).