1-amino-2-(5-bromo-3-methyltriazol-4-yl)-3-methylbutan-2-ol

C8H15BrN4O — CID 106461366

IUPAC1-amino-2-(5-bromo-3-methyltriazol-4-yl)-3-methylbutan-2-ol
SMILESCC(C)C(O)(CN)c1c(Br)nnn1C
InChIInChI=1S/C8H15BrN4O/c1-5(2)8(14,4-10)6-7(9)11-12-13(6)3/h5,14H,4,10H2,1-3H3
InChIKeyDYPBWVDSWAFOPD-UHFFFAOYSA-N
MW263.14 g/mol
LogP0.38
Rot. Bonds3

About 1-amino-2-(5-bromo-3-methyltriazol-4-yl)-3-methylbutan-2-ol

1-amino-2-(5-bromo-3-methyltriazol-4-yl)-3-methylbutan-2-ol (PubChem CID 106461366) has the molecular formula C8H15BrN4O and a molecular weight of 263.14 g/mol. Its IUPAC name is 1-amino-2-(5-bromo-3-methyltriazol-4-yl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-amino-2-(5-bromo-3-methyltriazol-4-yl)-3-methylbutan-2-ol
PubChem CID106461366
Molecular FormulaC8H15BrN4O
Molecular Weight263.14 g/mol
Exact Mass262.04
IUPAC Name1-amino-2-(5-bromo-3-methyltriazol-4-yl)-3-methylbutan-2-ol
SMILESCC(C)C(O)(CN)c1c(Br)nnn1C
InChIInChI=1S/C8H15BrN4O/c1-5(2)8(14,4-10)6-7(9)11-12-13(6)3/h5,14H,4,10H2,1-3H3
InChIKeyDYPBWVDSWAFOPD-UHFFFAOYSA-N
XLogP0.38
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(5-bromo-3-methyltriazol-4-yl)-3-methylbutan-2-ol?
The IUPAC name of 1-amino-2-(5-bromo-3-methyltriazol-4-yl)-3-methylbutan-2-ol (CID 106461366) is 1-amino-2-(5-bromo-3-methyltriazol-4-yl)-3-methylbutan-2-ol.
What is the SMILES notation for 1-amino-2-(5-bromo-3-methyltriazol-4-yl)-3-methylbutan-2-ol?
The canonical SMILES for 1-amino-2-(5-bromo-3-methyltriazol-4-yl)-3-methylbutan-2-ol is CC(C)C(O)(CN)c1c(Br)nnn1C.
What is the InChIKey of 1-amino-2-(5-bromo-3-methyltriazol-4-yl)-3-methylbutan-2-ol?
The InChIKey is DYPBWVDSWAFOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrN4O/c1-5(2)8(14,4-10)6-7(9)11-12-13(6)3/h5,14H,4,10H2,1-3H3.
What are the key properties of 1-amino-2-(5-bromo-3-methyltriazol-4-yl)-3-methylbutan-2-ol?
1-amino-2-(5-bromo-3-methyltriazol-4-yl)-3-methylbutan-2-ol has a molecular weight of 263.14 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(5-bromo-3-methyltriazol-4-yl)-3-methylbutan-2-ol is sourced from PubChem (CID 106461366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).