3-(1,2,4-triazol-1-yl)-1-azabicyclo[2.2.1]heptane

C8H12N4 — CID 19610937

IUPAC3-(1,2,4-triazol-1-yl)-1-azabicyclo[2.2.1]heptane
SMILESc1ncn(C2CN3CCC2C3)n1
InChIInChI=1S/C8H12N4/c1-2-11-3-7(1)8(4-11)12-6-9-5-10-12/h5-8H,1-4H2
InChIKeyQQWGRZXZTYGQOI-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.15
Rot. Bonds1

About 3-(1,2,4-triazol-1-yl)-1-azabicyclo[2.2.1]heptane

3-(1,2,4-triazol-1-yl)-1-azabicyclo[2.2.1]heptane (PubChem CID 19610937) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-(1,2,4-triazol-1-yl)-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name3-(1,2,4-triazol-1-yl)-1-azabicyclo[2.2.1]heptane
PubChem CID19610937
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name3-(1,2,4-triazol-1-yl)-1-azabicyclo[2.2.1]heptane
SMILESc1ncn(C2CN3CCC2C3)n1
InChIInChI=1S/C8H12N4/c1-2-11-3-7(1)8(4-11)12-6-9-5-10-12/h5-8H,1-4H2
InChIKeyQQWGRZXZTYGQOI-UHFFFAOYSA-N
XLogP0.15
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(1,2,4-triazol-1-yl)-1-azabicyclo[2.2.1]heptane 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-(1,2,4-triazol-1-yl)-1-azabicyclo[2.2.1]heptane?
The IUPAC name of 3-(1,2,4-triazol-1-yl)-1-azabicyclo[2.2.1]heptane (CID 19610937) is 3-(1,2,4-triazol-1-yl)-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 3-(1,2,4-triazol-1-yl)-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for 3-(1,2,4-triazol-1-yl)-1-azabicyclo[2.2.1]heptane is c1ncn(C2CN3CCC2C3)n1.
What is the InChIKey of 3-(1,2,4-triazol-1-yl)-1-azabicyclo[2.2.1]heptane?
The InChIKey is QQWGRZXZTYGQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-2-11-3-7(1)8(4-11)12-6-9-5-10-12/h5-8H,1-4H2.
What are the key properties of 3-(1,2,4-triazol-1-yl)-1-azabicyclo[2.2.1]heptane?
3-(1,2,4-triazol-1-yl)-1-azabicyclo[2.2.1]heptane has a molecular weight of 164.21 g/mol, XLogP of 0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-triazol-1-yl)-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 19610937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).