4-bromo-5-ethyl-2-methyltriazole

C5H8BrN3 — CID 175500101

IUPAC4-bromo-5-ethyl-2-methyltriazole
SMILESCCc1nn(C)nc1Br
InChIInChI=1S/C5H8BrN3/c1-3-4-5(6)8-9(2)7-4/h3H2,1-2H3
InChIKeyMESPASZGNPYJDR-UHFFFAOYSA-N
MW190.04 g/mol
LogP1.14
Rot. Bonds1

About 4-bromo-5-ethyl-2-methyltriazole

4-bromo-5-ethyl-2-methyltriazole (PubChem CID 175500101) has the molecular formula C5H8BrN3 and a molecular weight of 190.04 g/mol. Its IUPAC name is 4-bromo-5-ethyl-2-methyltriazole.

Molecular Properties

Compound Name4-bromo-5-ethyl-2-methyltriazole
PubChem CID175500101
Molecular FormulaC5H8BrN3
Molecular Weight190.04 g/mol
Exact Mass188.99
IUPAC Name4-bromo-5-ethyl-2-methyltriazole
SMILESCCc1nn(C)nc1Br
InChIInChI=1S/C5H8BrN3/c1-3-4-5(6)8-9(2)7-4/h3H2,1-2H3
InChIKeyMESPASZGNPYJDR-UHFFFAOYSA-N
XLogP1.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-ethyl-2-methyltriazole?
The IUPAC name of 4-bromo-5-ethyl-2-methyltriazole (CID 175500101) is 4-bromo-5-ethyl-2-methyltriazole.
What is the SMILES notation for 4-bromo-5-ethyl-2-methyltriazole?
The canonical SMILES for 4-bromo-5-ethyl-2-methyltriazole is CCc1nn(C)nc1Br.
What is the InChIKey of 4-bromo-5-ethyl-2-methyltriazole?
The InChIKey is MESPASZGNPYJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN3/c1-3-4-5(6)8-9(2)7-4/h3H2,1-2H3.
What are the key properties of 4-bromo-5-ethyl-2-methyltriazole?
4-bromo-5-ethyl-2-methyltriazole has a molecular weight of 190.04 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-ethyl-2-methyltriazole is sourced from PubChem (CID 175500101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).