1-(2-adamantyl)-5-naphthalen-2-yltetrazole

C21H22N4 — CID 140810006

IUPAC1-(2-adamantyl)-5-naphthalen-2-yltetrazole
SMILESc1ccc2cc(-c3nnnn3C3C4CC5CC(C4)CC3C5)ccc2c1
InChIInChI=1S/C21H22N4/c1-2-4-16-12-17(6-5-15(16)3-1)21-22-23-24-25(21)20-18-8-13-7-14(10-18)11-19(20)9-13/h1-6,12-14,18-20H,7-11H2
InChIKeyDRCWJLLJLVBQPO-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.49
Rot. Bonds2

About 1-(2-adamantyl)-5-naphthalen-2-yltetrazole

1-(2-adamantyl)-5-naphthalen-2-yltetrazole (PubChem CID 140810006) has the molecular formula C21H22N4 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(2-adamantyl)-5-naphthalen-2-yltetrazole.

Molecular Properties

Compound Name1-(2-adamantyl)-5-naphthalen-2-yltetrazole
PubChem CID140810006
Molecular FormulaC21H22N4
Molecular Weight330.43 g/mol
Exact Mass330.18
IUPAC Name1-(2-adamantyl)-5-naphthalen-2-yltetrazole
SMILESc1ccc2cc(-c3nnnn3C3C4CC5CC(C4)CC3C5)ccc2c1
InChIInChI=1S/C21H22N4/c1-2-4-16-12-17(6-5-15(16)3-1)21-22-23-24-25(21)20-18-8-13-7-14(10-18)11-19(20)9-13/h1-6,12-14,18-20H,7-11H2
InChIKeyDRCWJLLJLVBQPO-UHFFFAOYSA-N
XLogP4.49
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-adamantyl)-5-naphthalen-2-yltetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-5-naphthalen-2-yltetrazole?
The IUPAC name of 1-(2-adamantyl)-5-naphthalen-2-yltetrazole (CID 140810006) is 1-(2-adamantyl)-5-naphthalen-2-yltetrazole.
What is the SMILES notation for 1-(2-adamantyl)-5-naphthalen-2-yltetrazole?
The canonical SMILES for 1-(2-adamantyl)-5-naphthalen-2-yltetrazole is c1ccc2cc(-c3nnnn3C3C4CC5CC(C4)CC3C5)ccc2c1.
What is the InChIKey of 1-(2-adamantyl)-5-naphthalen-2-yltetrazole?
The InChIKey is DRCWJLLJLVBQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-2-4-16-12-17(6-5-15(16)3-1)21-22-23-24-25(21)20-18-8-13-7-14(10-18)11-19(20)9-13/h1-6,12-14,18-20H,7-11H2.
What are the key properties of 1-(2-adamantyl)-5-naphthalen-2-yltetrazole?
1-(2-adamantyl)-5-naphthalen-2-yltetrazole has a molecular weight of 330.43 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-5-naphthalen-2-yltetrazole is sourced from PubChem (CID 140810006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).