4-bromo-5-methyl-2H-triazole;hydrochloride

C3H5BrClN3 — CID 70701172

IUPAC4-bromo-5-methyl-2H-triazole;hydrochloride
SMILESCc1n[nH]nc1Br.Cl
InChIInChI=1S/C3H4BrN3.ClH/c1-2-3(4)6-7-5-2;/h1H3,(H,5,6,7);1H
InChIKeyLYCWKZFKTMHXQA-UHFFFAOYSA-N
MW198.45 g/mol
LogP1.30
Rot. Bonds

About 4-bromo-5-methyl-2H-triazole;hydrochloride

4-bromo-5-methyl-2H-triazole;hydrochloride (PubChem CID 70701172) has the molecular formula C3H5BrClN3 and a molecular weight of 198.45 g/mol. Its IUPAC name is 4-bromo-5-methyl-2H-triazole;hydrochloride.

Molecular Properties

Compound Name4-bromo-5-methyl-2H-triazole;hydrochloride
PubChem CID70701172
Molecular FormulaC3H5BrClN3
Molecular Weight198.45 g/mol
Exact Mass196.94
IUPAC Name4-bromo-5-methyl-2H-triazole;hydrochloride
SMILESCc1n[nH]nc1Br.Cl
InChIInChI=1S/C3H4BrN3.ClH/c1-2-3(4)6-7-5-2;/h1H3,(H,5,6,7);1H
InChIKeyLYCWKZFKTMHXQA-UHFFFAOYSA-N
XLogP1.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.45
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-2H-triazole;hydrochloride?
The IUPAC name of 4-bromo-5-methyl-2H-triazole;hydrochloride (CID 70701172) is 4-bromo-5-methyl-2H-triazole;hydrochloride.
What is the SMILES notation for 4-bromo-5-methyl-2H-triazole;hydrochloride?
The canonical SMILES for 4-bromo-5-methyl-2H-triazole;hydrochloride is Cc1n[nH]nc1Br.Cl.
What is the InChIKey of 4-bromo-5-methyl-2H-triazole;hydrochloride?
The InChIKey is LYCWKZFKTMHXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4BrN3.ClH/c1-2-3(4)6-7-5-2;/h1H3,(H,5,6,7);1H.
What are the key properties of 4-bromo-5-methyl-2H-triazole;hydrochloride?
4-bromo-5-methyl-2H-triazole;hydrochloride has a molecular weight of 198.45 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-2H-triazole;hydrochloride is sourced from PubChem (CID 70701172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).