1-azabicyclo[2.2.2]octane;2H-tetrazole;2H-triazole

C10H18N8 — CID 162038803

IUPAC1-azabicyclo[2.2.2]octane;2H-tetrazole;2H-triazole
SMILESC1CN2CCC1CC2.c1cn[nH]n1.c1nn[nH]n1
InChIInChI=1S/C7H13N.C2H3N3.CH2N4/c1-4-8-5-2-7(1)3-6-8;2*1-2-4-5-3-1/h7H,1-6H2;1-2H,(H,3,4,5);1H,(H,2,3,4,5)
InChIKeyYWZMUKZPUHZTDA-UHFFFAOYSA-N
MW250.31 g/mol
LogP0.11
Rot. Bonds

About 1-azabicyclo[2.2.2]octane;2H-tetrazole;2H-triazole

1-azabicyclo[2.2.2]octane;2H-tetrazole;2H-triazole (PubChem CID 162038803) has the molecular formula C10H18N8 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octane;2H-tetrazole;2H-triazole.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octane;2H-tetrazole;2H-triazole
PubChem CID162038803
Molecular FormulaC10H18N8
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name1-azabicyclo[2.2.2]octane;2H-tetrazole;2H-triazole
SMILESC1CN2CCC1CC2.c1cn[nH]n1.c1nn[nH]n1
InChIInChI=1S/C7H13N.C2H3N3.CH2N4/c1-4-8-5-2-7(1)3-6-8;2*1-2-4-5-3-1/h7H,1-6H2;1-2H,(H,3,4,5);1H,(H,2,3,4,5)
InChIKeyYWZMUKZPUHZTDA-UHFFFAOYSA-N
XLogP0.11
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.2]octane;2H-tetrazole;2H-triazole?
The IUPAC name of 1-azabicyclo[2.2.2]octane;2H-tetrazole;2H-triazole (CID 162038803) is 1-azabicyclo[2.2.2]octane;2H-tetrazole;2H-triazole.
What is the SMILES notation for 1-azabicyclo[2.2.2]octane;2H-tetrazole;2H-triazole?
The canonical SMILES for 1-azabicyclo[2.2.2]octane;2H-tetrazole;2H-triazole is C1CN2CCC1CC2.c1cn[nH]n1.c1nn[nH]n1.
What is the InChIKey of 1-azabicyclo[2.2.2]octane;2H-tetrazole;2H-triazole?
The InChIKey is YWZMUKZPUHZTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C2H3N3.CH2N4/c1-4-8-5-2-7(1)3-6-8;2*1-2-4-5-3-1/h7H,1-6H2;1-2H,(H,3,4,5);1H,(H,2,3,4,5).
What are the key properties of 1-azabicyclo[2.2.2]octane;2H-tetrazole;2H-triazole?
1-azabicyclo[2.2.2]octane;2H-tetrazole;2H-triazole has a molecular weight of 250.31 g/mol, XLogP of 0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.2]octane;2H-tetrazole;2H-triazole is sourced from PubChem (CID 162038803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).