3-(5-bromo-2-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one

C7H5BrN4O — CID 136715502

IUPAC3-(5-bromo-2-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(-c2ccc(Br)cn2)[nH]1
InChIInChI=1S/C7H5BrN4O/c8-4-1-2-5(9-3-4)6-10-7(13)12-11-6/h1-3H,(H2,10,11,12,13)
InChIKeyZHCKDKPEROZILU-UHFFFAOYSA-N
MW241.05 g/mol
LogP0.92
Rot. Bonds1

About 3-(5-bromo-2-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one

3-(5-bromo-2-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136715502) has the molecular formula C7H5BrN4O and a molecular weight of 241.05 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136715502
Molecular FormulaC7H5BrN4O
Molecular Weight241.05 g/mol
Exact Mass239.96
IUPAC Name3-(5-bromo-2-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(-c2ccc(Br)cn2)[nH]1
InChIInChI=1S/C7H5BrN4O/c8-4-1-2-5(9-3-4)6-10-7(13)12-11-6/h1-3H,(H2,10,11,12,13)
InChIKeyZHCKDKPEROZILU-UHFFFAOYSA-N
XLogP0.92
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.05
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103
4-amino-2-(5-bromo-2-pyridinyl)-5-methyl-1H-pyrimidin-6-one
CID 136715399
2-(5-bromo-2-pyridinyl)-4-(chloromethyl)-1H-pyrimidin-6-one
CID 136715451
5-(5-bromo-2-pyridinyl)-1H-pyridazin-6-one
CID 177252570
2-(5-bromo-2-pyridinyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 113393855
methyl 2-(5-bromo-2-pyridinyl)-1H-imidazole-5-carboxylate
CID 91048260
5-bromo-2-(5-bromo-2-pyridinyl)pyridine;dichloropalladium
CID 175701869
3-(2-methylpyrimidin-4-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137012896
2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole
CID 62958312
N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 113398748
2-(5-bromo-2-pyridinyl)-3H-benzimidazole-5-carboxylic acid
CID 55153437
5-bromo-2-[10-(5-bromo-2-pyridinyl)anthracen-9-yl]pyridine
CID 88894608

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one (CID 136715502) is 3-(5-bromo-2-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one is O=c1[nH]nc(-c2ccc(Br)cn2)[nH]1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is ZHCKDKPEROZILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4O/c8-4-1-2-5(9-3-4)6-10-7(13)12-11-6/h1-3H,(H2,10,11,12,13).
What are the key properties of 3-(5-bromo-2-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(5-bromo-2-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 241.05 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136715502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).