4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-cyclopentyltriazole

C18H18BrN3O — CID 134149080

IUPAC4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-cyclopentyltriazole
SMILESBrc1ccc2cc(OCc3cn(C4CCCC4)nn3)ccc2c1
InChIInChI=1S/C18H18BrN3O/c19-15-7-5-14-10-18(8-6-13(14)9-15)23-12-16-11-22(21-20-16)17-3-1-2-4-17/h5-11,17H,1-4,12H2
InChIKeyOAZRFSYZRUZHNQ-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.89
Rot. Bonds4

About 4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-cyclopentyltriazole

4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-cyclopentyltriazole (PubChem CID 134149080) has the molecular formula C18H18BrN3O and a molecular weight of 372.27 g/mol. Its IUPAC name is 4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-cyclopentyltriazole.

Molecular Properties

Compound Name4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-cyclopentyltriazole
PubChem CID134149080
Molecular FormulaC18H18BrN3O
Molecular Weight372.27 g/mol
Exact Mass371.06
IUPAC Name4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-cyclopentyltriazole
SMILESBrc1ccc2cc(OCc3cn(C4CCCC4)nn3)ccc2c1
InChIInChI=1S/C18H18BrN3O/c19-15-7-5-14-10-18(8-6-13(14)9-15)23-12-16-11-22(21-20-16)17-3-1-2-4-17/h5-11,17H,1-4,12H2
InChIKeyOAZRFSYZRUZHNQ-UHFFFAOYSA-N
XLogP4.89
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-cyclopentyltriazole?
The IUPAC name of 4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-cyclopentyltriazole (CID 134149080) is 4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-cyclopentyltriazole.
What is the SMILES notation for 4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-cyclopentyltriazole?
The canonical SMILES for 4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-cyclopentyltriazole is Brc1ccc2cc(OCc3cn(C4CCCC4)nn3)ccc2c1.
What is the InChIKey of 4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-cyclopentyltriazole?
The InChIKey is OAZRFSYZRUZHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O/c19-15-7-5-14-10-18(8-6-13(14)9-15)23-12-16-11-22(21-20-16)17-3-1-2-4-17/h5-11,17H,1-4,12H2.
What are the key properties of 4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-cyclopentyltriazole?
4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-cyclopentyltriazole has a molecular weight of 372.27 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-cyclopentyltriazole is sourced from PubChem (CID 134149080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).