2-(5-chloropyrazin-2-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C12H16ClN3 — CID 155406135

IUPAC2-(5-chloropyrazin-2-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC1CC2CN(c3cnc(Cl)cn3)CC2C1
InChIInChI=1S/C12H16ClN3/c1-8-2-9-6-16(7-10(9)3-8)12-5-14-11(13)4-15-12/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeyCGLOUHIFUXSRCC-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.61
Rot. Bonds1

About 2-(5-chloropyrazin-2-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

2-(5-chloropyrazin-2-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 155406135) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-(5-chloropyrazin-2-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-(5-chloropyrazin-2-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID155406135
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name2-(5-chloropyrazin-2-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC1CC2CN(c3cnc(Cl)cn3)CC2C1
InChIInChI=1S/C12H16ClN3/c1-8-2-9-6-16(7-10(9)3-8)12-5-14-11(13)4-15-12/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeyCGLOUHIFUXSRCC-UHFFFAOYSA-N
XLogP2.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloropyrazin-2-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-(5-chloropyrazin-2-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 155406135) is 2-(5-chloropyrazin-2-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-(5-chloropyrazin-2-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-(5-chloropyrazin-2-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CC1CC2CN(c3cnc(Cl)cn3)CC2C1.
What is the InChIKey of 2-(5-chloropyrazin-2-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is CGLOUHIFUXSRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-8-2-9-6-16(7-10(9)3-8)12-5-14-11(13)4-15-12/h4-5,8-10H,2-3,6-7H2,1H3.
What are the key properties of 2-(5-chloropyrazin-2-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-(5-chloropyrazin-2-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 237.73 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloropyrazin-2-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 155406135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).