3-(4-methyltriazol-1-yl)-1-azabicyclo[2.2.2]octane

C10H16N4 — CID 15669973

IUPAC3-(4-methyltriazol-1-yl)-1-azabicyclo[2.2.2]octane
SMILESCc1cn(C2CN3CCC2CC3)nn1
InChIInChI=1S/C10H16N4/c1-8-6-14(12-11-8)10-7-13-4-2-9(10)3-5-13/h6,9-10H,2-5,7H2,1H3
InChIKeyMJWAFBSSRVQGRA-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.85
Rot. Bonds1

About 3-(4-methyltriazol-1-yl)-1-azabicyclo[2.2.2]octane

3-(4-methyltriazol-1-yl)-1-azabicyclo[2.2.2]octane (PubChem CID 15669973) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 3-(4-methyltriazol-1-yl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-(4-methyltriazol-1-yl)-1-azabicyclo[2.2.2]octane
PubChem CID15669973
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name3-(4-methyltriazol-1-yl)-1-azabicyclo[2.2.2]octane
SMILESCc1cn(C2CN3CCC2CC3)nn1
InChIInChI=1S/C10H16N4/c1-8-6-14(12-11-8)10-7-13-4-2-9(10)3-5-13/h6,9-10H,2-5,7H2,1H3
InChIKeyMJWAFBSSRVQGRA-UHFFFAOYSA-N
XLogP0.85
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-methyltriazol-1-yl)-1-azabicyclo[2.2.2]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyltriazol-1-yl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-(4-methyltriazol-1-yl)-1-azabicyclo[2.2.2]octane (CID 15669973) is 3-(4-methyltriazol-1-yl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-(4-methyltriazol-1-yl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-(4-methyltriazol-1-yl)-1-azabicyclo[2.2.2]octane is Cc1cn(C2CN3CCC2CC3)nn1.
What is the InChIKey of 3-(4-methyltriazol-1-yl)-1-azabicyclo[2.2.2]octane?
The InChIKey is MJWAFBSSRVQGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-8-6-14(12-11-8)10-7-13-4-2-9(10)3-5-13/h6,9-10H,2-5,7H2,1H3.
What are the key properties of 3-(4-methyltriazol-1-yl)-1-azabicyclo[2.2.2]octane?
3-(4-methyltriazol-1-yl)-1-azabicyclo[2.2.2]octane has a molecular weight of 192.27 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyltriazol-1-yl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 15669973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).