(5-bromo-2H-triazol-4-yl)methanol

C3H4BrN3O — CID 84656264

IUPAC(5-bromo-2H-triazol-4-yl)methanol
SMILESOCc1n[nH]nc1Br
InChIInChI=1S/C3H4BrN3O/c4-3-2(1-8)5-7-6-3/h8H,1H2,(H,5,6,7)
InChIKeyFWEJKQOJECZYQG-UHFFFAOYSA-N
MW177.99 g/mol
LogP0.06
Rot. Bonds1

About (5-bromo-2H-triazol-4-yl)methanol

(5-bromo-2H-triazol-4-yl)methanol (PubChem CID 84656264) has the molecular formula C3H4BrN3O and a molecular weight of 177.99 g/mol. Its IUPAC name is (5-bromo-2H-triazol-4-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2H-triazol-4-yl)methanol
PubChem CID84656264
Molecular FormulaC3H4BrN3O
Molecular Weight177.99 g/mol
Exact Mass176.95
IUPAC Name(5-bromo-2H-triazol-4-yl)methanol
SMILESOCc1n[nH]nc1Br
InChIInChI=1S/C3H4BrN3O/c4-3-2(1-8)5-7-6-3/h8H,1H2,(H,5,6,7)
InChIKeyFWEJKQOJECZYQG-UHFFFAOYSA-N
XLogP0.06
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.99
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Bromo-2-methyl-2H-1,2,3-triazol-4-YL)methanol
CID 129116608
(5-iodo-2H-triazol-4-yl)methanol
CID 156692545

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2H-triazol-4-yl)methanol?
The IUPAC name of (5-bromo-2H-triazol-4-yl)methanol (CID 84656264) is (5-bromo-2H-triazol-4-yl)methanol.
What is the SMILES notation for (5-bromo-2H-triazol-4-yl)methanol?
The canonical SMILES for (5-bromo-2H-triazol-4-yl)methanol is OCc1n[nH]nc1Br.
What is the InChIKey of (5-bromo-2H-triazol-4-yl)methanol?
The InChIKey is FWEJKQOJECZYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4BrN3O/c4-3-2(1-8)5-7-6-3/h8H,1H2,(H,5,6,7).
What are the key properties of (5-bromo-2H-triazol-4-yl)methanol?
(5-bromo-2H-triazol-4-yl)methanol has a molecular weight of 177.99 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2H-triazol-4-yl)methanol is sourced from PubChem (CID 84656264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).