5-(5-bromofuran-2-yl)-1H-1,2,4-triazole

C6H4BrN3O — CID 53264351

IUPAC5-(5-bromofuran-2-yl)-1H-1,2,4-triazole
SMILESBrc1ccc(-c2ncn[nH]2)o1
InChIInChI=1S/C6H4BrN3O/c7-5-2-1-4(11-5)6-8-3-9-10-6/h1-3H,(H,8,9,10)
InChIKeyKCILCKAQHQZEKE-UHFFFAOYSA-N
MW214.02 g/mol
LogP1.83
Rot. Bonds1

About 5-(5-bromofuran-2-yl)-1H-1,2,4-triazole

5-(5-bromofuran-2-yl)-1H-1,2,4-triazole (PubChem CID 53264351) has the molecular formula C6H4BrN3O and a molecular weight of 214.02 g/mol. Its IUPAC name is 5-(5-bromofuran-2-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(5-bromofuran-2-yl)-1H-1,2,4-triazole
PubChem CID53264351
Molecular FormulaC6H4BrN3O
Molecular Weight214.02 g/mol
Exact Mass212.95
IUPAC Name5-(5-bromofuran-2-yl)-1H-1,2,4-triazole
SMILESBrc1ccc(-c2ncn[nH]2)o1
InChIInChI=1S/C6H4BrN3O/c7-5-2-1-4(11-5)6-8-3-9-10-6/h1-3H,(H,8,9,10)
InChIKeyKCILCKAQHQZEKE-UHFFFAOYSA-N
XLogP1.83
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.02
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromophenyl)-1H-1,2,4-triazole
CID 46948734
4-bromo-6-(5-bromofuran-2-yl)pyrimidine
CID 121205669
2-ethyl-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazole
CID 20770503
2-(5-bromofuran-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanone
CID 131047841
2-(5-bromofuran-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 63611922
methyl 2-(5-bromofuran-2-yl)-1H-imidazole-5-carboxylate
CID 62278381
1-(5-bromofuran-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 104653041
2-(5-bromofuran-2-yl)-7-ethyl-1H-imidazo[4,5-b]pyridine
CID 123649670
3-(1H-1,2,4-triazol-5-yl)benzene-1,2-diol
CID 152598495
6-(5-bromofuran-2-yl)pyridine-3-carbonitrile
CID 10911901
2-(5-bromofuran-2-yl)-6-fluoro-1H-benzimidazole
CID 13004835
4-(1H-1,2,4-triazol-5-yl)-2H-oxazine
CID 142638093

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromofuran-2-yl)-1H-1,2,4-triazole?
The IUPAC name of 5-(5-bromofuran-2-yl)-1H-1,2,4-triazole (CID 53264351) is 5-(5-bromofuran-2-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(5-bromofuran-2-yl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(5-bromofuran-2-yl)-1H-1,2,4-triazole is Brc1ccc(-c2ncn[nH]2)o1.
What is the InChIKey of 5-(5-bromofuran-2-yl)-1H-1,2,4-triazole?
The InChIKey is KCILCKAQHQZEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3O/c7-5-2-1-4(11-5)6-8-3-9-10-6/h1-3H,(H,8,9,10).
What are the key properties of 5-(5-bromofuran-2-yl)-1H-1,2,4-triazole?
5-(5-bromofuran-2-yl)-1H-1,2,4-triazole has a molecular weight of 214.02 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromofuran-2-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 53264351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).