1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-3-methylbutan-1-ol

C9H16BrN3O2 — CID 106465546

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-3-methylbutan-1-ol
SMILESCOC(C)(C)CC(O)c1c(Br)nnn1C
InChIInChI=1S/C9H16BrN3O2/c1-9(2,15-4)5-6(14)7-8(10)11-12-13(7)3/h6,14H,5H2,1-4H3
InChIKeyONJQBURYJKJEII-UHFFFAOYSA-N
MW278.15 g/mol
LogP1.43
Rot. Bonds4

About 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-3-methylbutan-1-ol

1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-3-methylbutan-1-ol (PubChem CID 106465546) has the molecular formula C9H16BrN3O2 and a molecular weight of 278.15 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-3-methylbutan-1-ol
PubChem CID106465546
Molecular FormulaC9H16BrN3O2
Molecular Weight278.15 g/mol
Exact Mass277.04
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-3-methylbutan-1-ol
SMILESCOC(C)(C)CC(O)c1c(Br)nnn1C
InChIInChI=1S/C9H16BrN3O2/c1-9(2,15-4)5-6(14)7-8(10)11-12-13(7)3/h6,14H,5H2,1-4H3
InChIKeyONJQBURYJKJEII-UHFFFAOYSA-N
XLogP1.43
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-3-methyltriazol-4-yl)-3-methoxypropan-1-ol
CID 106461801
1-(5-bromo-3-methyltriazol-4-yl)-2-methylsulfanylethanol
CID 106461816
1-(5-bromo-3-methyltriazol-4-yl)hexan-1-ol
CID 106461231
1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 106462995
1-(5-bromo-3-methyltriazol-4-yl)-3-ethylsulfanylpropan-1-ol
CID 106461419
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol
CID 103027713
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxy-3-methylbutan-1-ol
CID 103027706
[1-(5-bromo-3-methyltriazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 106466600
methyl 2-(5-bromo-3-methyltriazol-4-yl)butanoate
CID 106463370
1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 106462385
1-(5-bromo-3-methyltriazol-4-yl)-2-propylpentan-1-ol
CID 106465426
1-(5-bromo-3-methyltriazol-4-yl)-3-ethylpentane-1,2-diol
CID 106462013

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-3-methylbutan-1-ol?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-3-methylbutan-1-ol (CID 106465546) is 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-3-methylbutan-1-ol is COC(C)(C)CC(O)c1c(Br)nnn1C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-3-methylbutan-1-ol?
The InChIKey is ONJQBURYJKJEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN3O2/c1-9(2,15-4)5-6(14)7-8(10)11-12-13(7)3/h6,14H,5H2,1-4H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-3-methylbutan-1-ol?
1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-3-methylbutan-1-ol has a molecular weight of 278.15 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 106465546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).