1-(2-methoxyoxan-4-yl)-4-naphthalen-2-yltriazole

C18H19N3O2 — CID 175787994

IUPAC1-(2-methoxyoxan-4-yl)-4-naphthalen-2-yltriazole
SMILESCOC1CC(n2cc(-c3ccc4ccccc4c3)nn2)CCO1
InChIInChI=1S/C18H19N3O2/c1-22-18-11-16(8-9-23-18)21-12-17(19-20-21)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,12,16,18H,8-9,11H2,1H3
InChIKeyDVQYZCYAYZROMI-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.42
Rot. Bonds3

About 1-(2-methoxyoxan-4-yl)-4-naphthalen-2-yltriazole

1-(2-methoxyoxan-4-yl)-4-naphthalen-2-yltriazole (PubChem CID 175787994) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(2-methoxyoxan-4-yl)-4-naphthalen-2-yltriazole.

Molecular Properties

Compound Name1-(2-methoxyoxan-4-yl)-4-naphthalen-2-yltriazole
PubChem CID175787994
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-(2-methoxyoxan-4-yl)-4-naphthalen-2-yltriazole
SMILESCOC1CC(n2cc(-c3ccc4ccccc4c3)nn2)CCO1
InChIInChI=1S/C18H19N3O2/c1-22-18-11-16(8-9-23-18)21-12-17(19-20-21)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,12,16,18H,8-9,11H2,1H3
InChIKeyDVQYZCYAYZROMI-UHFFFAOYSA-N
XLogP3.42
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyoxan-4-yl)-4-naphthalen-2-yltriazole?
The IUPAC name of 1-(2-methoxyoxan-4-yl)-4-naphthalen-2-yltriazole (CID 175787994) is 1-(2-methoxyoxan-4-yl)-4-naphthalen-2-yltriazole.
What is the SMILES notation for 1-(2-methoxyoxan-4-yl)-4-naphthalen-2-yltriazole?
The canonical SMILES for 1-(2-methoxyoxan-4-yl)-4-naphthalen-2-yltriazole is COC1CC(n2cc(-c3ccc4ccccc4c3)nn2)CCO1.
What is the InChIKey of 1-(2-methoxyoxan-4-yl)-4-naphthalen-2-yltriazole?
The InChIKey is DVQYZCYAYZROMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-22-18-11-16(8-9-23-18)21-12-17(19-20-21)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,12,16,18H,8-9,11H2,1H3.
What are the key properties of 1-(2-methoxyoxan-4-yl)-4-naphthalen-2-yltriazole?
1-(2-methoxyoxan-4-yl)-4-naphthalen-2-yltriazole has a molecular weight of 309.37 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyoxan-4-yl)-4-naphthalen-2-yltriazole is sourced from PubChem (CID 175787994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).