3-(5-ethyltetrazol-1-yl)-1-azabicyclo[2.2.2]octane

C10H17N5 — CID 19771039

IUPAC3-(5-ethyltetrazol-1-yl)-1-azabicyclo[2.2.2]octane
SMILESCCc1nnnn1C1CN2CCC1CC2
InChIInChI=1S/C10H17N5/c1-2-10-11-12-13-15(10)9-7-14-5-3-8(9)4-6-14/h8-9H,2-7H2,1H3
InChIKeyJOSHGSHFLORHIP-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.50
Rot. Bonds2

About 3-(5-ethyltetrazol-1-yl)-1-azabicyclo[2.2.2]octane

3-(5-ethyltetrazol-1-yl)-1-azabicyclo[2.2.2]octane (PubChem CID 19771039) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(5-ethyltetrazol-1-yl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-(5-ethyltetrazol-1-yl)-1-azabicyclo[2.2.2]octane
PubChem CID19771039
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name3-(5-ethyltetrazol-1-yl)-1-azabicyclo[2.2.2]octane
SMILESCCc1nnnn1C1CN2CCC1CC2
InChIInChI=1S/C10H17N5/c1-2-10-11-12-13-15(10)9-7-14-5-3-8(9)4-6-14/h8-9H,2-7H2,1H3
InChIKeyJOSHGSHFLORHIP-UHFFFAOYSA-N
XLogP0.50
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyltetrazol-1-yl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-(5-ethyltetrazol-1-yl)-1-azabicyclo[2.2.2]octane (CID 19771039) is 3-(5-ethyltetrazol-1-yl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-(5-ethyltetrazol-1-yl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-(5-ethyltetrazol-1-yl)-1-azabicyclo[2.2.2]octane is CCc1nnnn1C1CN2CCC1CC2.
What is the InChIKey of 3-(5-ethyltetrazol-1-yl)-1-azabicyclo[2.2.2]octane?
The InChIKey is JOSHGSHFLORHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-2-10-11-12-13-15(10)9-7-14-5-3-8(9)4-6-14/h8-9H,2-7H2,1H3.
What are the key properties of 3-(5-ethyltetrazol-1-yl)-1-azabicyclo[2.2.2]octane?
3-(5-ethyltetrazol-1-yl)-1-azabicyclo[2.2.2]octane has a molecular weight of 207.28 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyltetrazol-1-yl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 19771039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).