5-bromo-3-imidazol-1-yl-1H-1,2,4-triazole

C5H4BrN5 — CID 155882785

IUPAC5-bromo-3-imidazol-1-yl-1H-1,2,4-triazole
SMILESBrc1nc(-n2ccnc2)n[nH]1
InChIInChI=1S/C5H4BrN5/c6-4-8-5(10-9-4)11-2-1-7-3-11/h1-3H,(H,8,9,10)
InChIKeyKGDOWBYJFRTMNH-UHFFFAOYSA-N
MW214.03 g/mol
LogP0.75
Rot. Bonds1

About 5-bromo-3-imidazol-1-yl-1H-1,2,4-triazole

5-bromo-3-imidazol-1-yl-1H-1,2,4-triazole (PubChem CID 155882785) has the molecular formula C5H4BrN5 and a molecular weight of 214.03 g/mol. Its IUPAC name is 5-bromo-3-imidazol-1-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-bromo-3-imidazol-1-yl-1H-1,2,4-triazole
PubChem CID155882785
Molecular FormulaC5H4BrN5
Molecular Weight214.03 g/mol
Exact Mass212.97
IUPAC Name5-bromo-3-imidazol-1-yl-1H-1,2,4-triazole
SMILESBrc1nc(-n2ccnc2)n[nH]1
InChIInChI=1S/C5H4BrN5/c6-4-8-5(10-9-4)11-2-1-7-3-11/h1-3H,(H,8,9,10)
InChIKeyKGDOWBYJFRTMNH-UHFFFAOYSA-N
XLogP0.75
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.03
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-difluorophenyl)-3-imidazol-1-yl-1H-1,2,4-triazole
CID 157013200
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
3-imidazol-1-yl-1,2,4,5-tetrazine
CID 86097321
4,5-dibromo-2-imidazol-1-yl-1,3-thiazole
CID 66521025
2-imidazol-1-ylpyrimidine-4,5-diamine
CID 10080896
2-(4-bromopyrazol-1-yl)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62867714
2-(1H-diazet-2-yl)-6-(6-imidazol-1-yl-2-pyridinyl)pyridine
CID 144635891
4-bromo-3-imidazol-1-ylpyridine
CID 84688960
1-(3,5-dibromo-4-methylphenyl)imidazole
CID 67554928
3-imidazol-1-yl-1H-indazole
CID 173047046
5-(4-bromophenyl)-4-imidazol-1-yl-3-methylsulfanyl-1H-pyrazole
CID 171976655
2-(4-bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62868436

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-imidazol-1-yl-1H-1,2,4-triazole?
The IUPAC name of 5-bromo-3-imidazol-1-yl-1H-1,2,4-triazole (CID 155882785) is 5-bromo-3-imidazol-1-yl-1H-1,2,4-triazole.
What is the SMILES notation for 5-bromo-3-imidazol-1-yl-1H-1,2,4-triazole?
The canonical SMILES for 5-bromo-3-imidazol-1-yl-1H-1,2,4-triazole is Brc1nc(-n2ccnc2)n[nH]1.
What is the InChIKey of 5-bromo-3-imidazol-1-yl-1H-1,2,4-triazole?
The InChIKey is KGDOWBYJFRTMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrN5/c6-4-8-5(10-9-4)11-2-1-7-3-11/h1-3H,(H,8,9,10).
What are the key properties of 5-bromo-3-imidazol-1-yl-1H-1,2,4-triazole?
5-bromo-3-imidazol-1-yl-1H-1,2,4-triazole has a molecular weight of 214.03 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-imidazol-1-yl-1H-1,2,4-triazole is sourced from PubChem (CID 155882785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).