2-(1-adamantyl)-5-phenyltetrazole

C17H20N4 — CID 2841167

IUPAC2-(1-adamantyl)-5-phenyltetrazole
SMILESc1ccc(-c2nnn(C34CC5CC(CC(C5)C3)C4)n2)cc1
InChIInChI=1S/C17H20N4/c1-2-4-15(5-3-1)16-18-20-21(19-16)17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14H,6-11H2
InChIKeyLINSLAJXFUEMGO-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.27
Rot. Bonds2

About 2-(1-adamantyl)-5-phenyltetrazole

2-(1-adamantyl)-5-phenyltetrazole (PubChem CID 2841167) has the molecular formula C17H20N4 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(1-adamantyl)-5-phenyltetrazole.

Molecular Properties

Compound Name2-(1-adamantyl)-5-phenyltetrazole
PubChem CID2841167
Molecular FormulaC17H20N4
Molecular Weight280.37 g/mol
Exact Mass280.17
IUPAC Name2-(1-adamantyl)-5-phenyltetrazole
SMILESc1ccc(-c2nnn(C34CC5CC(CC(C5)C3)C4)n2)cc1
InChIInChI=1S/C17H20N4/c1-2-4-15(5-3-1)16-18-20-21(19-16)17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14H,6-11H2
InChIKeyLINSLAJXFUEMGO-UHFFFAOYSA-N
XLogP3.27
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-5-phenyltetrazole?
The IUPAC name of 2-(1-adamantyl)-5-phenyltetrazole (CID 2841167) is 2-(1-adamantyl)-5-phenyltetrazole.
What is the SMILES notation for 2-(1-adamantyl)-5-phenyltetrazole?
The canonical SMILES for 2-(1-adamantyl)-5-phenyltetrazole is c1ccc(-c2nnn(C34CC5CC(CC(C5)C3)C4)n2)cc1.
What is the InChIKey of 2-(1-adamantyl)-5-phenyltetrazole?
The InChIKey is LINSLAJXFUEMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-4-15(5-3-1)16-18-20-21(19-16)17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14H,6-11H2.
What are the key properties of 2-(1-adamantyl)-5-phenyltetrazole?
2-(1-adamantyl)-5-phenyltetrazole has a molecular weight of 280.37 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-5-phenyltetrazole is sourced from PubChem (CID 2841167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).