4-[(E)-2-(4-bromophenyl)ethenyl]-2H-triazole

C10H8BrN3 — CID 155653556

IUPAC4-[(E)-2-(4-bromophenyl)ethenyl]-2H-triazole
SMILESBrc1ccc(/C=C/c2cn[nH]n2)cc1
InChIInChI=1S/C10H8BrN3/c11-9-4-1-8(2-5-9)3-6-10-7-12-14-13-10/h1-7H,(H,12,13,14)/b6-3+
InChIKeyVBXKDSRDLPHCIY-ZZXKWVIFSA-N
MW250.10 g/mol
LogP2.74
Rot. Bonds2

About 4-[(E)-2-(4-bromophenyl)ethenyl]-2H-triazole

4-[(E)-2-(4-bromophenyl)ethenyl]-2H-triazole (PubChem CID 155653556) has the molecular formula C10H8BrN3 and a molecular weight of 250.10 g/mol. Its IUPAC name is 4-[(E)-2-(4-bromophenyl)ethenyl]-2H-triazole.

Molecular Properties

Compound Name4-[(E)-2-(4-bromophenyl)ethenyl]-2H-triazole
PubChem CID155653556
Molecular FormulaC10H8BrN3
Molecular Weight250.10 g/mol
Exact Mass248.99
IUPAC Name4-[(E)-2-(4-bromophenyl)ethenyl]-2H-triazole
SMILESBrc1ccc(/C=C/c2cn[nH]n2)cc1
InChIInChI=1S/C10H8BrN3/c11-9-4-1-8(2-5-9)3-6-10-7-12-14-13-10/h1-7H,(H,12,13,14)/b6-3+
InChIKeyVBXKDSRDLPHCIY-ZZXKWVIFSA-N
XLogP2.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[4-[4-(2-phenylethenyl)phenyl]phenyl]ethenyl]-2H-triazole
CID 70412416
4-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-2H-triazole
CID 158018374
4-[(E)-2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole
CID 155653551
4-[(E)-2-[4-(3-chlorophenyl)phenyl]ethenyl]-2H-triazole
CID 155653363
4-[(E)-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]ethenyl]-2H-triazole
CID 155653503
carbon dioxide;4-[4-[2-(2H-triazol-4-yl)ethenyl]phenyl]benzonitrile
CID 176537603
carbon dioxide;4-[2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole
CID 176548106
4-[(E)-2-(4-bromophenyl)ethenyl]aniline
CID 165349864
1-bromo-3-[(Z)-2-(4-bromophenyl)ethenyl]benzene
CID 67720671
1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene
CID 85439739
carbon dioxide;4-[2-(2-chlorophenyl)ethenyl]-2H-triazole
CID 176538051
2,7-bis[2-(4-bromophenyl)ethenyl]naphthalene
CID 71410772

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-bromophenyl)ethenyl]-2H-triazole?
The IUPAC name of 4-[(E)-2-(4-bromophenyl)ethenyl]-2H-triazole (CID 155653556) is 4-[(E)-2-(4-bromophenyl)ethenyl]-2H-triazole.
What is the SMILES notation for 4-[(E)-2-(4-bromophenyl)ethenyl]-2H-triazole?
The canonical SMILES for 4-[(E)-2-(4-bromophenyl)ethenyl]-2H-triazole is Brc1ccc(/C=C/c2cn[nH]n2)cc1.
What is the InChIKey of 4-[(E)-2-(4-bromophenyl)ethenyl]-2H-triazole?
The InChIKey is VBXKDSRDLPHCIY-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H8BrN3/c11-9-4-1-8(2-5-9)3-6-10-7-12-14-13-10/h1-7H,(H,12,13,14)/b6-3+.
What are the key properties of 4-[(E)-2-(4-bromophenyl)ethenyl]-2H-triazole?
4-[(E)-2-(4-bromophenyl)ethenyl]-2H-triazole has a molecular weight of 250.10 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-bromophenyl)ethenyl]-2H-triazole is sourced from PubChem (CID 155653556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).