3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane

C9H15N5 — CID 19610896

IUPAC3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane
SMILESCCc1nnn(C2CN3CCC2C3)n1
InChIInChI=1S/C9H15N5/c1-2-9-10-12-14(11-9)8-6-13-4-3-7(8)5-13/h7-8H,2-6H2,1H3
InChIKeyAAUQVZBYCAYTIN-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.11
Rot. Bonds2

About 3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane

3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane (PubChem CID 19610896) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane
PubChem CID19610896
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane
SMILESCCc1nnn(C2CN3CCC2C3)n1
InChIInChI=1S/C9H15N5/c1-2-9-10-12-14(11-9)8-6-13-4-3-7(8)5-13/h7-8H,2-6H2,1H3
InChIKeyAAUQVZBYCAYTIN-UHFFFAOYSA-N
XLogP0.11
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane?
The IUPAC name of 3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane (CID 19610896) is 3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for 3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane is CCc1nnn(C2CN3CCC2C3)n1.
What is the InChIKey of 3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane?
The InChIKey is AAUQVZBYCAYTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-2-9-10-12-14(11-9)8-6-13-4-3-7(8)5-13/h7-8H,2-6H2,1H3.
What are the key properties of 3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane?
3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane has a molecular weight of 193.25 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 19610896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).