8-propan-2-yl-3-[2-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]-1,2,3,5,6,7-hexahydropyrrolizine

C17H24F3N3 — CID 176954834

IUPAC8-propan-2-yl-3-[2-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)C12CCCN1C(CCc1cnc(C(F)(F)F)cn1)CC2
InChIInChI=1S/C17H24F3N3/c1-12(2)16-7-3-9-23(16)14(6-8-16)5-4-13-10-22-15(11-21-13)17(18,19)20/h10-12,14H,3-9H2,1-2H3
InChIKeyDRQRRVFEUGDYRV-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.08
Rot. Bonds4

About 8-propan-2-yl-3-[2-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]-1,2,3,5,6,7-hexahydropyrrolizine

8-propan-2-yl-3-[2-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 176954834) has the molecular formula C17H24F3N3 and a molecular weight of 327.39 g/mol. Its IUPAC name is 8-propan-2-yl-3-[2-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name8-propan-2-yl-3-[2-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID176954834
Molecular FormulaC17H24F3N3
Molecular Weight327.39 g/mol
Exact Mass327.19
IUPAC Name8-propan-2-yl-3-[2-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)C12CCCN1C(CCc1cnc(C(F)(F)F)cn1)CC2
InChIInChI=1S/C17H24F3N3/c1-12(2)16-7-3-9-23(16)14(6-8-16)5-4-13-10-22-15(11-21-13)17(18,19)20/h10-12,14H,3-9H2,1-2H3
InChIKeyDRQRRVFEUGDYRV-UHFFFAOYSA-N
XLogP4.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Tetradecan-7-yl-5-(trifluoromethyl)pyrazine
CID 135234335
2-(Trifluoromethyl)-5-undecan-5-ylpyrazine
CID 146209211
2-[(3-Propan-2-ylcyclobutyl)methyl]-5-(trifluoromethyl)pyrazine
CID 157767568
3-[2-[6-(Difluoromethyl)pyrazin-2-yl]ethyl]-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 171827146
3-[2-[3-(Difluoromethyl)pyrazin-2-yl]ethyl]-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 171827242
3-[2-[5-(Difluoromethyl)pyrazin-2-yl]ethyl]-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 171827255

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-3-[2-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 8-propan-2-yl-3-[2-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]-1,2,3,5,6,7-hexahydropyrrolizine (CID 176954834) is 8-propan-2-yl-3-[2-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 8-propan-2-yl-3-[2-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 8-propan-2-yl-3-[2-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]-1,2,3,5,6,7-hexahydropyrrolizine is CC(C)C12CCCN1C(CCc1cnc(C(F)(F)F)cn1)CC2.
What is the InChIKey of 8-propan-2-yl-3-[2-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is DRQRRVFEUGDYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3/c1-12(2)16-7-3-9-23(16)14(6-8-16)5-4-13-10-22-15(11-21-13)17(18,19)20/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 8-propan-2-yl-3-[2-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]-1,2,3,5,6,7-hexahydropyrrolizine?
8-propan-2-yl-3-[2-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 327.39 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-3-[2-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 176954834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).