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

C10H12Cl2N4 — CID 115561016

IUPAC2-(4,6-dichloro-1,3,5-triazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESClc1nc(Cl)nc(N2CC3CCCC3C2)n1
InChIInChI=1S/C10H12Cl2N4/c11-8-13-9(12)15-10(14-8)16-4-6-2-1-3-7(6)5-16/h6-7H,1-5H2
InChIKeyQNIGTZAPCQXDLB-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.41
Rot. Bonds1

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

2-(4,6-dichloro-1,3,5-triazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 115561016) has the molecular formula C10H12Cl2N4 and a molecular weight of 259.14 g/mol. Its IUPAC name is 2-(4,6-dichloro-1,3,5-triazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-(4,6-dichloro-1,3,5-triazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID115561016
Molecular FormulaC10H12Cl2N4
Molecular Weight259.14 g/mol
Exact Mass258.04
IUPAC Name2-(4,6-dichloro-1,3,5-triazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESClc1nc(Cl)nc(N2CC3CCCC3C2)n1
InChIInChI=1S/C10H12Cl2N4/c11-8-13-9(12)15-10(14-8)16-4-6-2-1-3-7(6)5-16/h6-7H,1-5H2
InChIKeyQNIGTZAPCQXDLB-UHFFFAOYSA-N
XLogP2.41
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloro-1,3,5-triazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-(4,6-dichloro-1,3,5-triazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 115561016) is 2-(4,6-dichloro-1,3,5-triazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-(4,6-dichloro-1,3,5-triazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-(4,6-dichloro-1,3,5-triazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is Clc1nc(Cl)nc(N2CC3CCCC3C2)n1.
What is the InChIKey of 2-(4,6-dichloro-1,3,5-triazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is QNIGTZAPCQXDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N4/c11-8-13-9(12)15-10(14-8)16-4-6-2-1-3-7(6)5-16/h6-7H,1-5H2.
What are the key properties of 2-(4,6-dichloro-1,3,5-triazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-(4,6-dichloro-1,3,5-triazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 259.14 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloro-1,3,5-triazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 115561016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).