(1R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)ethanol

C5H8BrN3O — CID 163231942

IUPAC(1R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)ethanol
SMILESC[C@@H](O)c1nc(Br)nn1C
InChIInChI=1S/C5H8BrN3O/c1-3(10)4-7-5(6)8-9(4)2/h3,10H,1-2H3/t3-/m1/s1
InChIKeyDGEBTHFTDOINLS-GSVOUGTGSA-N
MW206.04 g/mol
LogP0.63
Rot. Bonds1

About (1R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)ethanol

(1R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 163231942) has the molecular formula C5H8BrN3O and a molecular weight of 206.04 g/mol. Its IUPAC name is (1R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)ethanol
PubChem CID163231942
Molecular FormulaC5H8BrN3O
Molecular Weight206.04 g/mol
Exact Mass204.99
IUPAC Name(1R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)ethanol
SMILESC[C@@H](O)c1nc(Br)nn1C
InChIInChI=1S/C5H8BrN3O/c1-3(10)4-7-5(6)8-9(4)2/h3,10H,1-2H3/t3-/m1/s1
InChIKeyDGEBTHFTDOINLS-GSVOUGTGSA-N
XLogP0.63
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.04
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of (1R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)ethanol (CID 163231942) is (1R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for (1R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for (1R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)ethanol is C[C@@H](O)c1nc(Br)nn1C.
What is the InChIKey of (1R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is DGEBTHFTDOINLS-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H8BrN3O/c1-3(10)4-7-5(6)8-9(4)2/h3,10H,1-2H3/t3-/m1/s1.
What are the key properties of (1R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)ethanol?
(1R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 206.04 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 163231942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).