6-(3-bromothiophen-2-yl)-3-pyridin-2-yl-4H-1,2,4-triazin-5-one

C12H7BrN4OS — CID 135727087

IUPAC6-(3-bromothiophen-2-yl)-3-pyridin-2-yl-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(-c2ccccn2)nnc1-c1sccc1Br
InChIInChI=1S/C12H7BrN4OS/c13-7-4-6-19-10(7)9-12(18)15-11(17-16-9)8-3-1-2-5-14-8/h1-6H,(H,15,17,18)
InChIKeyIWINDVXAEXBLHI-UHFFFAOYSA-N
MW335.19 g/mol
LogP2.72
Rot. Bonds2

About 6-(3-bromothiophen-2-yl)-3-pyridin-2-yl-4H-1,2,4-triazin-5-one

6-(3-bromothiophen-2-yl)-3-pyridin-2-yl-4H-1,2,4-triazin-5-one (PubChem CID 135727087) has the molecular formula C12H7BrN4OS and a molecular weight of 335.19 g/mol. Its IUPAC name is 6-(3-bromothiophen-2-yl)-3-pyridin-2-yl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-(3-bromothiophen-2-yl)-3-pyridin-2-yl-4H-1,2,4-triazin-5-one
PubChem CID135727087
Molecular FormulaC12H7BrN4OS
Molecular Weight335.19 g/mol
Exact Mass333.95
IUPAC Name6-(3-bromothiophen-2-yl)-3-pyridin-2-yl-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(-c2ccccn2)nnc1-c1sccc1Br
InChIInChI=1S/C12H7BrN4OS/c13-7-4-6-19-10(7)9-12(18)15-11(17-16-9)8-3-1-2-5-14-8/h1-6H,(H,15,17,18)
InChIKeyIWINDVXAEXBLHI-UHFFFAOYSA-N
XLogP2.72
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromothiophen-2-yl)pyridine
CID 15937584
6-tert-butyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one
CID 135840397
4-hydroxy-5-iodo-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 66285358
2-(3-bromothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136989025
6-methyl-2-pyridin-2-yl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28888998
5-bromo-2-(3-bromothiophen-2-yl)-4-tert-butyl-1H-pyrimidin-6-one
CID 136967184
5-fluoro-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 144858847
5-bromo-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
CID 66312965
7-piperidin-1-ium-4-yl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 147185081
2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine
CID 83647798
2-(3-bromothiophen-2-yl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 115380790
7-[4-amino-3-(methylamino)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 142506735

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromothiophen-2-yl)-3-pyridin-2-yl-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-(3-bromothiophen-2-yl)-3-pyridin-2-yl-4H-1,2,4-triazin-5-one (CID 135727087) is 6-(3-bromothiophen-2-yl)-3-pyridin-2-yl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-(3-bromothiophen-2-yl)-3-pyridin-2-yl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-(3-bromothiophen-2-yl)-3-pyridin-2-yl-4H-1,2,4-triazin-5-one is O=c1[nH]c(-c2ccccn2)nnc1-c1sccc1Br.
What is the InChIKey of 6-(3-bromothiophen-2-yl)-3-pyridin-2-yl-4H-1,2,4-triazin-5-one?
The InChIKey is IWINDVXAEXBLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN4OS/c13-7-4-6-19-10(7)9-12(18)15-11(17-16-9)8-3-1-2-5-14-8/h1-6H,(H,15,17,18).
What are the key properties of 6-(3-bromothiophen-2-yl)-3-pyridin-2-yl-4H-1,2,4-triazin-5-one?
6-(3-bromothiophen-2-yl)-3-pyridin-2-yl-4H-1,2,4-triazin-5-one has a molecular weight of 335.19 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromothiophen-2-yl)-3-pyridin-2-yl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135727087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).