8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane

C8H13N5 — CID 67972581

IUPAC8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane
SMILESc1nnnn1C1C2CCC1CNC2
InChIInChI=1S/C8H13N5/c1-2-7-4-9-3-6(1)8(7)13-5-10-11-12-13/h5-9H,1-4H2
InChIKeyKUGNQUOCIXEZBG-UHFFFAOYSA-N
MW179.23 g/mol
LogP-0.16
Rot. Bonds1

About 8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane

8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane (PubChem CID 67972581) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane
PubChem CID67972581
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane
SMILESc1nnnn1C1C2CCC1CNC2
InChIInChI=1S/C8H13N5/c1-2-7-4-9-3-6(1)8(7)13-5-10-11-12-13/h5-9H,1-4H2
InChIKeyKUGNQUOCIXEZBG-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 8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane (CID 67972581) is 8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane is c1nnnn1C1C2CCC1CNC2.
What is the InChIKey of 8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane?
The InChIKey is KUGNQUOCIXEZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-2-7-4-9-3-6(1)8(7)13-5-10-11-12-13/h5-9H,1-4H2.
What are the key properties of 8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane?
8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane 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 8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 67972581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).