4-(2-bromophenyl)-5-ethyl-2H-triazole

C10H10BrN3 — CID 141476693

IUPAC4-(2-bromophenyl)-5-ethyl-2H-triazole
SMILESCCc1n[nH]nc1-c1ccccc1Br
InChIInChI=1S/C10H10BrN3/c1-2-9-10(13-14-12-9)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyLHYJMGJDIMQOIA-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.80
Rot. Bonds2

About 4-(2-bromophenyl)-5-ethyl-2H-triazole

4-(2-bromophenyl)-5-ethyl-2H-triazole (PubChem CID 141476693) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 4-(2-bromophenyl)-5-ethyl-2H-triazole.

Molecular Properties

Compound Name4-(2-bromophenyl)-5-ethyl-2H-triazole
PubChem CID141476693
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name4-(2-bromophenyl)-5-ethyl-2H-triazole
SMILESCCc1n[nH]nc1-c1ccccc1Br
InChIInChI=1S/C10H10BrN3/c1-2-9-10(13-14-12-9)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyLHYJMGJDIMQOIA-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

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Related Compounds

CID 6400901
CID 6400901
CID 6419341
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CID 6411478
CID 6411478
CID 9920916
CID 9920916
CID 12207442
CID 12207442
CID 51345776
CID 51345776
CID 18506325
CID 18506325
CID 13925381
CID 13925381
CID 141453858
CID 141453858
CID 12207441
CID 12207441
CID 10444892
CID 10444892
CID 13029912
CID 13029912

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-5-ethyl-2H-triazole?
The IUPAC name of 4-(2-bromophenyl)-5-ethyl-2H-triazole (CID 141476693) is 4-(2-bromophenyl)-5-ethyl-2H-triazole.
What is the SMILES notation for 4-(2-bromophenyl)-5-ethyl-2H-triazole?
The canonical SMILES for 4-(2-bromophenyl)-5-ethyl-2H-triazole is CCc1n[nH]nc1-c1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)-5-ethyl-2H-triazole?
The InChIKey is LHYJMGJDIMQOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-2-9-10(13-14-12-9)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3,(H,12,13,14).
What are the key properties of 4-(2-bromophenyl)-5-ethyl-2H-triazole?
4-(2-bromophenyl)-5-ethyl-2H-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 4-(2-bromophenyl)-5-ethyl-2H-triazole is sourced from PubChem (CID 141476693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).