5-(tetrazol-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

C8H13N5 — CID 89410034

IUPAC5-(tetrazol-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESc1nnn(C2CC3CNCC3C2)n1
InChIInChI=1S/C8H13N5/c1-6-3-9-4-7(6)2-8(1)13-11-5-10-12-13/h5-9H,1-4H2
InChIKeyXAZHUEPCVMYGPB-UHFFFAOYSA-N
MW179.23 g/mol
LogP-0.16
Rot. Bonds1

About 5-(tetrazol-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

5-(tetrazol-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (PubChem CID 89410034) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 5-(tetrazol-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name5-(tetrazol-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
PubChem CID89410034
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name5-(tetrazol-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESc1nnn(C2CC3CNCC3C2)n1
InChIInChI=1S/C8H13N5/c1-6-3-9-4-7(6)2-8(1)13-11-5-10-12-13/h5-9H,1-4H2
InChIKeyXAZHUEPCVMYGPB-UHFFFAOYSA-N
XLogP-0.16
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(tetrazol-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The IUPAC name of 5-(tetrazol-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (CID 89410034) is 5-(tetrazol-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 5-(tetrazol-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The canonical SMILES for 5-(tetrazol-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is c1nnn(C2CC3CNCC3C2)n1.
What is the InChIKey of 5-(tetrazol-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The InChIKey is XAZHUEPCVMYGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-6-3-9-4-7(6)2-8(1)13-11-5-10-12-13/h5-9H,1-4H2.
What are the key properties of 5-(tetrazol-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
5-(tetrazol-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole has a molecular weight of 179.23 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tetrazol-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 89410034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).