1-(4-bromotriazol-1-yl)-2-methylpropan-2-ol

C6H10BrN3O — CID 162341696

IUPAC1-(4-bromotriazol-1-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(Br)nn1
InChIInChI=1S/C6H10BrN3O/c1-6(2,11)4-10-3-5(7)8-9-10/h3,11H,4H2,1-2H3
InChIKeyTXGZGRNGAABLPX-UHFFFAOYSA-N
MW220.07 g/mol
LogP0.81
Rot. Bonds2

About 1-(4-bromotriazol-1-yl)-2-methylpropan-2-ol

1-(4-bromotriazol-1-yl)-2-methylpropan-2-ol (PubChem CID 162341696) has the molecular formula C6H10BrN3O and a molecular weight of 220.07 g/mol. Its IUPAC name is 1-(4-bromotriazol-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-bromotriazol-1-yl)-2-methylpropan-2-ol
PubChem CID162341696
Molecular FormulaC6H10BrN3O
Molecular Weight220.07 g/mol
Exact Mass219.00
IUPAC Name1-(4-bromotriazol-1-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(Br)nn1
InChIInChI=1S/C6H10BrN3O/c1-6(2,11)4-10-3-5(7)8-9-10/h3,11H,4H2,1-2H3
InChIKeyTXGZGRNGAABLPX-UHFFFAOYSA-N
XLogP0.81
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.07
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromotriazol-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-bromotriazol-1-yl)-2-methylpropan-2-ol (CID 162341696) is 1-(4-bromotriazol-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-bromotriazol-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-bromotriazol-1-yl)-2-methylpropan-2-ol is CC(C)(O)Cn1cc(Br)nn1.
What is the InChIKey of 1-(4-bromotriazol-1-yl)-2-methylpropan-2-ol?
The InChIKey is TXGZGRNGAABLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN3O/c1-6(2,11)4-10-3-5(7)8-9-10/h3,11H,4H2,1-2H3.
What are the key properties of 1-(4-bromotriazol-1-yl)-2-methylpropan-2-ol?
1-(4-bromotriazol-1-yl)-2-methylpropan-2-ol has a molecular weight of 220.07 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromotriazol-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 162341696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).