1-(1-adamantyl)tetrazole

C11H16N4 — CID 3143905

IUPAC1-(1-adamantyl)tetrazole
SMILESc1nnnn1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H16N4/c1-8-2-10-3-9(1)5-11(4-8,6-10)15-7-12-13-14-15/h7-10H,1-6H2
InChIKeyKFQREURXCYHWIC-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.60
Rot. Bonds1

About 1-(1-adamantyl)tetrazole

1-(1-adamantyl)tetrazole (PubChem CID 3143905) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 1-(1-adamantyl)tetrazole.

Molecular Properties

Compound Name1-(1-adamantyl)tetrazole
PubChem CID3143905
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name1-(1-adamantyl)tetrazole
SMILESc1nnnn1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H16N4/c1-8-2-10-3-9(1)5-11(4-8,6-10)15-7-12-13-14-15/h7-10H,1-6H2
InChIKeyKFQREURXCYHWIC-UHFFFAOYSA-N
XLogP1.60
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)tetrazole?
The IUPAC name of 1-(1-adamantyl)tetrazole (CID 3143905) is 1-(1-adamantyl)tetrazole.
What is the SMILES notation for 1-(1-adamantyl)tetrazole?
The canonical SMILES for 1-(1-adamantyl)tetrazole is c1nnnn1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)tetrazole?
The InChIKey is KFQREURXCYHWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-8-2-10-3-9(1)5-11(4-8,6-10)15-7-12-13-14-15/h7-10H,1-6H2.
What are the key properties of 1-(1-adamantyl)tetrazole?
1-(1-adamantyl)tetrazole has a molecular weight of 204.28 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)tetrazole is sourced from PubChem (CID 3143905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).