3-(2-bromophenyl)-5-ethyl-1H-1,2,4-triazole

C10H10BrN3 — CID 61276916

IUPAC3-(2-bromophenyl)-5-ethyl-1H-1,2,4-triazole
SMILESCCc1nc(-c2ccccc2Br)n[nH]1
InChIInChI=1S/C10H10BrN3/c1-2-9-12-10(14-13-9)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyCEFKCEVWHDPEAF-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.80
Rot. Bonds2

About 3-(2-bromophenyl)-5-ethyl-1H-1,2,4-triazole

3-(2-bromophenyl)-5-ethyl-1H-1,2,4-triazole (PubChem CID 61276916) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 3-(2-bromophenyl)-5-ethyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-bromophenyl)-5-ethyl-1H-1,2,4-triazole
PubChem CID61276916
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name3-(2-bromophenyl)-5-ethyl-1H-1,2,4-triazole
SMILESCCc1nc(-c2ccccc2Br)n[nH]1
InChIInChI=1S/C10H10BrN3/c1-2-9-12-10(14-13-9)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyCEFKCEVWHDPEAF-UHFFFAOYSA-N
XLogP2.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-bromophenyl)-5-ethyl-1H-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 95778
CID 95778
CID 16260
CID 16260
CID 2859280
CID 2859280
CID 2147143
CID 2147143
CID 134528
CID 134528
CID 61353182
CID 61353182
CID 747058
CID 747058
CID 794036
CID 794036
CID 594381
CID 594381
CID 11229128
CID 11229128
CID 1265631
CID 1265631
CID 61352587
CID 61352587

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-5-ethyl-1H-1,2,4-triazole?
The IUPAC name of 3-(2-bromophenyl)-5-ethyl-1H-1,2,4-triazole (CID 61276916) is 3-(2-bromophenyl)-5-ethyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(2-bromophenyl)-5-ethyl-1H-1,2,4-triazole?
The canonical SMILES for 3-(2-bromophenyl)-5-ethyl-1H-1,2,4-triazole is CCc1nc(-c2ccccc2Br)n[nH]1.
What is the InChIKey of 3-(2-bromophenyl)-5-ethyl-1H-1,2,4-triazole?
The InChIKey is CEFKCEVWHDPEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-2-9-12-10(14-13-9)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3,(H,12,13,14).
What are the key properties of 3-(2-bromophenyl)-5-ethyl-1H-1,2,4-triazole?
3-(2-bromophenyl)-5-ethyl-1H-1,2,4-triazole has a molecular weight of 252.12 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-5-ethyl-1H-1,2,4-triazole is sourced from PubChem (CID 61276916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).