5-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)tetrazolo[1,5-a]pyrazine

C11H13ClN6 — CID 55235850

IUPAC5-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)tetrazolo[1,5-a]pyrazine
SMILESClC1CC2CCC(C1)N2c1cncc2nnnn12
InChIInChI=1S/C11H13ClN6/c12-7-3-8-1-2-9(4-7)17(8)11-6-13-5-10-14-15-16-18(10)11/h5-9H,1-4H2
InChIKeySKHHZDOMJVMRQK-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.26
Rot. Bonds1

About 5-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)tetrazolo[1,5-a]pyrazine

5-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)tetrazolo[1,5-a]pyrazine (PubChem CID 55235850) has the molecular formula C11H13ClN6 and a molecular weight of 264.72 g/mol. Its IUPAC name is 5-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)tetrazolo[1,5-a]pyrazine
PubChem CID55235850
Molecular FormulaC11H13ClN6
Molecular Weight264.72 g/mol
Exact Mass264.09
IUPAC Name5-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)tetrazolo[1,5-a]pyrazine
SMILESClC1CC2CCC(C1)N2c1cncc2nnnn12
InChIInChI=1S/C11H13ClN6/c12-7-3-8-1-2-9(4-7)17(8)11-6-13-5-10-14-15-16-18(10)11/h5-9H,1-4H2
InChIKeySKHHZDOMJVMRQK-UHFFFAOYSA-N
XLogP1.26
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)tetrazolo[1,5-a]pyrazine?
The IUPAC name of 5-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)tetrazolo[1,5-a]pyrazine (CID 55235850) is 5-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)tetrazolo[1,5-a]pyrazine is ClC1CC2CCC(C1)N2c1cncc2nnnn12.
What is the InChIKey of 5-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)tetrazolo[1,5-a]pyrazine?
The InChIKey is SKHHZDOMJVMRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6/c12-7-3-8-1-2-9(4-7)17(8)11-6-13-5-10-14-15-16-18(10)11/h5-9H,1-4H2.
What are the key properties of 5-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)tetrazolo[1,5-a]pyrazine?
5-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)tetrazolo[1,5-a]pyrazine has a molecular weight of 264.72 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 55235850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).