4-bromo-5-ethyl-2H-triazole;hydrobromide

C4H7Br2N3 — CID 70444962

IUPAC4-bromo-5-ethyl-2H-triazole;hydrobromide
SMILESBr.CCc1n[nH]nc1Br
InChIInChI=1S/C4H6BrN3.BrH/c1-2-3-4(5)7-8-6-3;/h2H2,1H3,(H,6,7,8);1H
InChIKeyVMIPZNGAJZWGID-UHFFFAOYSA-N
MW256.93 g/mol
LogP1.71
Rot. Bonds1

About 4-bromo-5-ethyl-2H-triazole;hydrobromide

4-bromo-5-ethyl-2H-triazole;hydrobromide (PubChem CID 70444962) has the molecular formula C4H7Br2N3 and a molecular weight of 256.93 g/mol. Its IUPAC name is 4-bromo-5-ethyl-2H-triazole;hydrobromide.

Molecular Properties

Compound Name4-bromo-5-ethyl-2H-triazole;hydrobromide
PubChem CID70444962
Molecular FormulaC4H7Br2N3
Molecular Weight256.93 g/mol
Exact Mass254.90
IUPAC Name4-bromo-5-ethyl-2H-triazole;hydrobromide
SMILESBr.CCc1n[nH]nc1Br
InChIInChI=1S/C4H6BrN3.BrH/c1-2-3-4(5)7-8-6-3;/h2H2,1H3,(H,6,7,8);1H
InChIKeyVMIPZNGAJZWGID-UHFFFAOYSA-N
XLogP1.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.93
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-ethyl-2H-triazole;hydrobromide?
The IUPAC name of 4-bromo-5-ethyl-2H-triazole;hydrobromide (CID 70444962) is 4-bromo-5-ethyl-2H-triazole;hydrobromide.
What is the SMILES notation for 4-bromo-5-ethyl-2H-triazole;hydrobromide?
The canonical SMILES for 4-bromo-5-ethyl-2H-triazole;hydrobromide is Br.CCc1n[nH]nc1Br.
What is the InChIKey of 4-bromo-5-ethyl-2H-triazole;hydrobromide?
The InChIKey is VMIPZNGAJZWGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrN3.BrH/c1-2-3-4(5)7-8-6-3;/h2H2,1H3,(H,6,7,8);1H.
What are the key properties of 4-bromo-5-ethyl-2H-triazole;hydrobromide?
4-bromo-5-ethyl-2H-triazole;hydrobromide has a molecular weight of 256.93 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-ethyl-2H-triazole;hydrobromide is sourced from PubChem (CID 70444962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).