5-(tetrazol-1-yl)-1-azabicyclo[3.2.1]octane

C8H13N5 — CID 19610878

IUPAC5-(tetrazol-1-yl)-1-azabicyclo[3.2.1]octane
SMILESc1nnnn1C12CCCN(CC1)C2
InChIInChI=1S/C8H13N5/c1-2-8(13-7-9-10-11-13)3-5-12(4-1)6-8/h7H,1-6H2
InChIKeyQXYSFPTYRWAWCO-UHFFFAOYSA-N
MW179.23 g/mol
LogP-0.13
Rot. Bonds1

About 5-(tetrazol-1-yl)-1-azabicyclo[3.2.1]octane

5-(tetrazol-1-yl)-1-azabicyclo[3.2.1]octane (PubChem CID 19610878) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 5-(tetrazol-1-yl)-1-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name5-(tetrazol-1-yl)-1-azabicyclo[3.2.1]octane
PubChem CID19610878
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name5-(tetrazol-1-yl)-1-azabicyclo[3.2.1]octane
SMILESc1nnnn1C12CCCN(CC1)C2
InChIInChI=1S/C8H13N5/c1-2-8(13-7-9-10-11-13)3-5-12(4-1)6-8/h7H,1-6H2
InChIKeyQXYSFPTYRWAWCO-UHFFFAOYSA-N
XLogP-0.13
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(tetrazol-1-yl)-1-azabicyclo[3.2.1]octane?
The IUPAC name of 5-(tetrazol-1-yl)-1-azabicyclo[3.2.1]octane (CID 19610878) is 5-(tetrazol-1-yl)-1-azabicyclo[3.2.1]octane.
What is the SMILES notation for 5-(tetrazol-1-yl)-1-azabicyclo[3.2.1]octane?
The canonical SMILES for 5-(tetrazol-1-yl)-1-azabicyclo[3.2.1]octane is c1nnnn1C12CCCN(CC1)C2.
What is the InChIKey of 5-(tetrazol-1-yl)-1-azabicyclo[3.2.1]octane?
The InChIKey is QXYSFPTYRWAWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-2-8(13-7-9-10-11-13)3-5-12(4-1)6-8/h7H,1-6H2.
What are the key properties of 5-(tetrazol-1-yl)-1-azabicyclo[3.2.1]octane?
5-(tetrazol-1-yl)-1-azabicyclo[3.2.1]octane has a molecular weight of 179.23 g/mol, XLogP of -0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tetrazol-1-yl)-1-azabicyclo[3.2.1]octane is sourced from PubChem (CID 19610878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).