1-(6-bromonaphthalen-2-yl)-2-(1-methyltriazol-4-yl)ethanone

C15H12BrN3O — CID 107063142

IUPAC1-(6-bromonaphthalen-2-yl)-2-(1-methyltriazol-4-yl)ethanone
SMILESCn1cc(CC(=O)c2ccc3cc(Br)ccc3c2)nn1
InChIInChI=1S/C15H12BrN3O/c1-19-9-14(17-18-19)8-15(20)12-3-2-11-7-13(16)5-4-10(11)6-12/h2-7,9H,8H2,1H3
InChIKeyIQXYTJJGGUXKGS-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.16
Rot. Bonds3

About 1-(6-bromonaphthalen-2-yl)-2-(1-methyltriazol-4-yl)ethanone

1-(6-bromonaphthalen-2-yl)-2-(1-methyltriazol-4-yl)ethanone (PubChem CID 107063142) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-2-(1-methyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-2-(1-methyltriazol-4-yl)ethanone
PubChem CID107063142
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name1-(6-bromonaphthalen-2-yl)-2-(1-methyltriazol-4-yl)ethanone
SMILESCn1cc(CC(=O)c2ccc3cc(Br)ccc3c2)nn1
InChIInChI=1S/C15H12BrN3O/c1-19-9-14(17-18-19)8-15(20)12-3-2-11-7-13(16)5-4-10(11)6-12/h2-7,9H,8H2,1H3
InChIKeyIQXYTJJGGUXKGS-UHFFFAOYSA-N
XLogP3.16
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Bromophenyl)-2-(4-butyltriazol-1-yl)ethanone
CID 53317357
1-(4-Bromophenyl)-2-[4-(4-methylphenyl)triazol-1-yl]ethanone
CID 53319965
1-(4-Fluoronaphthalen-1-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 105602400
1-[4-Bromo-2-(trifluoromethyl)phenyl]-2-(1-methyltriazol-4-yl)ethanone
CID 107046980
1-(3-Bromo-5-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107047204
1-(3-Bromo-4-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107047425
1-(5-Bromo-2-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107047563
1-(4-Bromo-2-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107047565
1-(2-Bromo-3-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062657
1-(4-Bromo-3-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062691
1-[2-Bromo-5-(trifluoromethyl)phenyl]-2-(1-methyltriazol-4-yl)ethanone
CID 107062755
1-[4-Bromo-3-(trifluoromethyl)phenyl]-2-(1-methyltriazol-4-yl)ethanone
CID 107062991

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-2-(1-methyltriazol-4-yl)ethanone?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-2-(1-methyltriazol-4-yl)ethanone (CID 107063142) is 1-(6-bromonaphthalen-2-yl)-2-(1-methyltriazol-4-yl)ethanone.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-2-(1-methyltriazol-4-yl)ethanone?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-2-(1-methyltriazol-4-yl)ethanone is Cn1cc(CC(=O)c2ccc3cc(Br)ccc3c2)nn1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-2-(1-methyltriazol-4-yl)ethanone?
The InChIKey is IQXYTJJGGUXKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-19-9-14(17-18-19)8-15(20)12-3-2-11-7-13(16)5-4-10(11)6-12/h2-7,9H,8H2,1H3.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-2-(1-methyltriazol-4-yl)ethanone?
1-(6-bromonaphthalen-2-yl)-2-(1-methyltriazol-4-yl)ethanone has a molecular weight of 330.19 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)-2-(1-methyltriazol-4-yl)ethanone is sourced from PubChem (CID 107063142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).