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

C4H6BrN3 — CID 23316261

IUPAC4-bromo-5-ethyl-2H-triazole
SMILESCCc1n[nH]nc1Br
InChIInChI=1S/C4H6BrN3/c1-2-3-4(5)7-8-6-3/h2H2,1H3,(H,6,7,8)
InChIKeyZVVCQGIOTZKNMN-UHFFFAOYSA-N
MW176.02 g/mol
LogP1.13
Rot. Bonds1

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

4-bromo-5-ethyl-2H-triazole (PubChem CID 23316261) has the molecular formula C4H6BrN3 and a molecular weight of 176.02 g/mol. Its IUPAC name is 4-bromo-5-ethyl-2H-triazole.

Molecular Properties

Compound Name4-bromo-5-ethyl-2H-triazole
PubChem CID23316261
Molecular FormulaC4H6BrN3
Molecular Weight176.02 g/mol
Exact Mass174.97
IUPAC Name4-bromo-5-ethyl-2H-triazole
SMILESCCc1n[nH]nc1Br
InChIInChI=1S/C4H6BrN3/c1-2-3-4(5)7-8-6-3/h2H2,1H3,(H,6,7,8)
InChIKeyZVVCQGIOTZKNMN-UHFFFAOYSA-N
XLogP1.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.02
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-methyl-1H-1,2,3-triazole
CID 69383561
5-Bromo-4-methyl-1H-1,2,3-triazole hydrochloride
CID 70701172
4-bromo-5-isopropyl-1H-1,2,3-triazole
CID 69382170
4-bromo-5-propyl-2H-triazole
CID 69383120
4-bromo-5-tert-butyl-2H-triazole
CID 69383837
4-bromo-5-butyl-2H-triazole
CID 69383932
4-bromo-5-isobutyl-1H-1,2,3-triazole
CID 69385749
4-Bromo-2,5-diethyltriazole
CID 69918717
4-bromo-5-ethyl-2H-triazole;hydrobromide
CID 70444962
4-Bromo-5-ethyl-2-propyltriazole
CID 123874173
4-methyl-5-methylbromanuidyl-2H-triazole
CID 148778481
5-Bromo-4-methyltriazol-1-amine
CID 166960651

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-ethyl-2H-triazole?
The IUPAC name of 4-bromo-5-ethyl-2H-triazole (CID 23316261) is 4-bromo-5-ethyl-2H-triazole.
What is the SMILES notation for 4-bromo-5-ethyl-2H-triazole?
The canonical SMILES for 4-bromo-5-ethyl-2H-triazole is CCc1n[nH]nc1Br.
What is the InChIKey of 4-bromo-5-ethyl-2H-triazole?
The InChIKey is ZVVCQGIOTZKNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrN3/c1-2-3-4(5)7-8-6-3/h2H2,1H3,(H,6,7,8).
What are the key properties of 4-bromo-5-ethyl-2H-triazole?
4-bromo-5-ethyl-2H-triazole has a molecular weight of 176.02 g/mol, XLogP of 1.13, 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 is sourced from PubChem (CID 23316261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).