1-phenyl-6-(2H-tetrazol-5-yl)-8-azabicyclo[3.2.1]octane

C14H17N5 — CID 90794245

IUPAC1-phenyl-6-(2H-tetrazol-5-yl)-8-azabicyclo[3.2.1]octane
SMILESc1ccc(C23CCCC(N2)C(c2nn[nH]n2)C3)cc1
InChIInChI=1S/C14H17N5/c1-2-5-10(6-3-1)14-8-4-7-12(15-14)11(9-14)13-16-18-19-17-13/h1-3,5-6,11-12,15H,4,7-9H2,(H,16,17,18,19)
InChIKeyGHCITXSZSKKRTP-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.72
Rot. Bonds2

About 1-phenyl-6-(2H-tetrazol-5-yl)-8-azabicyclo[3.2.1]octane

1-phenyl-6-(2H-tetrazol-5-yl)-8-azabicyclo[3.2.1]octane (PubChem CID 90794245) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-phenyl-6-(2H-tetrazol-5-yl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-phenyl-6-(2H-tetrazol-5-yl)-8-azabicyclo[3.2.1]octane
PubChem CID90794245
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name1-phenyl-6-(2H-tetrazol-5-yl)-8-azabicyclo[3.2.1]octane
SMILESc1ccc(C23CCCC(N2)C(c2nn[nH]n2)C3)cc1
InChIInChI=1S/C14H17N5/c1-2-5-10(6-3-1)14-8-4-7-12(15-14)11(9-14)13-16-18-19-17-13/h1-3,5-6,11-12,15H,4,7-9H2,(H,16,17,18,19)
InChIKeyGHCITXSZSKKRTP-UHFFFAOYSA-N
XLogP1.72
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-6-(2H-tetrazol-5-yl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 1-phenyl-6-(2H-tetrazol-5-yl)-8-azabicyclo[3.2.1]octane (CID 90794245) is 1-phenyl-6-(2H-tetrazol-5-yl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 1-phenyl-6-(2H-tetrazol-5-yl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 1-phenyl-6-(2H-tetrazol-5-yl)-8-azabicyclo[3.2.1]octane is c1ccc(C23CCCC(N2)C(c2nn[nH]n2)C3)cc1.
What is the InChIKey of 1-phenyl-6-(2H-tetrazol-5-yl)-8-azabicyclo[3.2.1]octane?
The InChIKey is GHCITXSZSKKRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-2-5-10(6-3-1)14-8-4-7-12(15-14)11(9-14)13-16-18-19-17-13/h1-3,5-6,11-12,15H,4,7-9H2,(H,16,17,18,19).
What are the key properties of 1-phenyl-6-(2H-tetrazol-5-yl)-8-azabicyclo[3.2.1]octane?
1-phenyl-6-(2H-tetrazol-5-yl)-8-azabicyclo[3.2.1]octane has a molecular weight of 255.32 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-6-(2H-tetrazol-5-yl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 90794245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).