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

C16H16BrN3O — CID 134136326

IUPAC4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propyltriazole
SMILESCCCn1cc(COc2ccc3cc(Br)ccc3c2)nn1
InChIInChI=1S/C16H16BrN3O/c1-2-7-20-10-15(18-19-20)11-21-16-6-4-12-8-14(17)5-3-13(12)9-16/h3-6,8-10H,2,7,11H2,1H3
InChIKeyAQUNOOGAZXXYFR-UHFFFAOYSA-N
MW346.23 g/mol
LogP4.18
Rot. Bonds5

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

4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propyltriazole (PubChem CID 134136326) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is 4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propyltriazole.

Molecular Properties

Compound Name4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propyltriazole
PubChem CID134136326
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propyltriazole
SMILESCCCn1cc(COc2ccc3cc(Br)ccc3c2)nn1
InChIInChI=1S/C16H16BrN3O/c1-2-7-20-10-15(18-19-20)11-21-16-6-4-12-8-14(17)5-3-13(12)9-16/h3-6,8-10H,2,7,11H2,1H3
InChIKeyAQUNOOGAZXXYFR-UHFFFAOYSA-N
XLogP4.18
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 54.18
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-propyltriazole?
The IUPAC name of 4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propyltriazole (CID 134136326) is 4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propyltriazole.
What is the SMILES notation for 4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propyltriazole?
The canonical SMILES for 4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propyltriazole is CCCn1cc(COc2ccc3cc(Br)ccc3c2)nn1.
What is the InChIKey of 4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propyltriazole?
The InChIKey is AQUNOOGAZXXYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c1-2-7-20-10-15(18-19-20)11-21-16-6-4-12-8-14(17)5-3-13(12)9-16/h3-6,8-10H,2,7,11H2,1H3.
What are the key properties of 4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propyltriazole?
4-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propyltriazole has a molecular weight of 346.23 g/mol, XLogP of 4.18, 5 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-propyltriazole is sourced from PubChem (CID 134136326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).