2-(3,5-dibromo-1,2,4-triazol-1-yl)ethanol

C4H5Br2N3O — CID 99819080

IUPAC2-(3,5-dibromo-1,2,4-triazol-1-yl)ethanol
SMILESOCCn1nc(Br)nc1Br
InChIInChI=1S/C4H5Br2N3O/c5-3-7-4(6)9(8-3)1-2-10/h10H,1-2H2
InChIKeyPLPVWIVUAGAMLV-UHFFFAOYSA-N
MW270.91 g/mol
LogP0.80
Rot. Bonds2

About 2-(3,5-dibromo-1,2,4-triazol-1-yl)ethanol

2-(3,5-dibromo-1,2,4-triazol-1-yl)ethanol (PubChem CID 99819080) has the molecular formula C4H5Br2N3O and a molecular weight of 270.91 g/mol. Its IUPAC name is 2-(3,5-dibromo-1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(3,5-dibromo-1,2,4-triazol-1-yl)ethanol
PubChem CID99819080
Molecular FormulaC4H5Br2N3O
Molecular Weight270.91 g/mol
Exact Mass268.88
IUPAC Name2-(3,5-dibromo-1,2,4-triazol-1-yl)ethanol
SMILESOCCn1nc(Br)nc1Br
InChIInChI=1S/C4H5Br2N3O/c5-3-7-4(6)9(8-3)1-2-10/h10H,1-2H2
InChIKeyPLPVWIVUAGAMLV-UHFFFAOYSA-N
XLogP0.80
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.91
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromo-1,2,4-triazol-1-yl)ethanol?
The IUPAC name of 2-(3,5-dibromo-1,2,4-triazol-1-yl)ethanol (CID 99819080) is 2-(3,5-dibromo-1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for 2-(3,5-dibromo-1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for 2-(3,5-dibromo-1,2,4-triazol-1-yl)ethanol is OCCn1nc(Br)nc1Br.
What is the InChIKey of 2-(3,5-dibromo-1,2,4-triazol-1-yl)ethanol?
The InChIKey is PLPVWIVUAGAMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5Br2N3O/c5-3-7-4(6)9(8-3)1-2-10/h10H,1-2H2.
What are the key properties of 2-(3,5-dibromo-1,2,4-triazol-1-yl)ethanol?
2-(3,5-dibromo-1,2,4-triazol-1-yl)ethanol has a molecular weight of 270.91 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromo-1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 99819080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).