3-(5-methyltetrazol-2-yl)-1-azabicyclo[2.2.2]octane

C9H15N5 — CID 15669977

IUPAC3-(5-methyltetrazol-2-yl)-1-azabicyclo[2.2.2]octane
SMILESCc1nnn(C2CN3CCC2CC3)n1
InChIInChI=1S/C9H15N5/c1-7-10-12-14(11-7)9-6-13-4-2-8(9)3-5-13/h8-9H,2-6H2,1H3
InChIKeyVPPCYMOGGLAYBU-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.25
Rot. Bonds1

About 3-(5-methyltetrazol-2-yl)-1-azabicyclo[2.2.2]octane

3-(5-methyltetrazol-2-yl)-1-azabicyclo[2.2.2]octane (PubChem CID 15669977) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(5-methyltetrazol-2-yl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-(5-methyltetrazol-2-yl)-1-azabicyclo[2.2.2]octane
PubChem CID15669977
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name3-(5-methyltetrazol-2-yl)-1-azabicyclo[2.2.2]octane
SMILESCc1nnn(C2CN3CCC2CC3)n1
InChIInChI=1S/C9H15N5/c1-7-10-12-14(11-7)9-6-13-4-2-8(9)3-5-13/h8-9H,2-6H2,1H3
InChIKeyVPPCYMOGGLAYBU-UHFFFAOYSA-N
XLogP0.25
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-3-(5-methyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane
CID 58732567
3-(3-methyl-1,2,4-triazol-1-yl)-1-azabicyclo[2.2.2]octane
CID 15669971
3-(4-methyltriazol-2-yl)-1-azabicyclo[2.2.2]octane;hydrochloride
CID 19610889
3-(5-iodotetrazol-2-yl)-1-azabicyclo[2.2.1]heptane
CID 19610924
3-(4-methyltriazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride
CID 19610961
(3R,4R)-3-(5-methyltetrazol-2-yl)-1-oxido-1-azoniabicyclo[2.2.1]heptane
CID 58732562
CID 59556459
CID 59556459
3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1H-imidazole-2-thione
CID 81335487
(3S)-3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-azabicyclo[2.2.2]octane
CID 99927899
3-(tetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride
CID 19610931
2-cyclohex-2-en-1-yl-5-methyltetrazole
CID 11423771
1-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1,3-diazinane-2,4-dione
CID 79776817

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyltetrazol-2-yl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-(5-methyltetrazol-2-yl)-1-azabicyclo[2.2.2]octane (CID 15669977) is 3-(5-methyltetrazol-2-yl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-(5-methyltetrazol-2-yl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-(5-methyltetrazol-2-yl)-1-azabicyclo[2.2.2]octane is Cc1nnn(C2CN3CCC2CC3)n1.
What is the InChIKey of 3-(5-methyltetrazol-2-yl)-1-azabicyclo[2.2.2]octane?
The InChIKey is VPPCYMOGGLAYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-7-10-12-14(11-7)9-6-13-4-2-8(9)3-5-13/h8-9H,2-6H2,1H3.
What are the key properties of 3-(5-methyltetrazol-2-yl)-1-azabicyclo[2.2.2]octane?
3-(5-methyltetrazol-2-yl)-1-azabicyclo[2.2.2]octane has a molecular weight of 193.25 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyltetrazol-2-yl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 15669977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).