4,6-diphenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one

C21H14N4OS — CID 12964793

IUPAC4,6-diphenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one
SMILESO=c1n(-c2ccccc2)nc(-c2ccccc2)c2cc(-c3cccs3)nn12
InChIInChI=1S/C21H14N4OS/c26-21-24(16-10-5-2-6-11-16)23-20(15-8-3-1-4-9-15)18-14-17(22-25(18)21)19-12-7-13-27-19/h1-14H
InChIKeyFFCYQNBVOWTFDD-UHFFFAOYSA-N
MW370.44 g/mol
LogP4.28
Rot. Bonds3

About 4,6-diphenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one

4,6-diphenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one (PubChem CID 12964793) has the molecular formula C21H14N4OS and a molecular weight of 370.44 g/mol. Its IUPAC name is 4,6-diphenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one.

Molecular Properties

Compound Name4,6-diphenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one
PubChem CID12964793
Molecular FormulaC21H14N4OS
Molecular Weight370.44 g/mol
Exact Mass370.09
IUPAC Name4,6-diphenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one
SMILESO=c1n(-c2ccccc2)nc(-c2ccccc2)c2cc(-c3cccs3)nn12
InChIInChI=1S/C21H14N4OS/c26-21-24(16-10-5-2-6-11-16)23-20(15-8-3-1-4-9-15)18-14-17(22-25(18)21)19-12-7-13-27-19/h1-14H
InChIKeyFFCYQNBVOWTFDD-UHFFFAOYSA-N
XLogP4.28
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-4-thiophen-2-ylphthalazin-1-one
CID 4053882
(1,4-diphenyl-3-thiophen-2-ylpyrazol-5-yl)-phenylmethanone
CID 14000361
2,4-diphenyl-5-thiophen-2-ylpyrazole-3-carbonitrile
CID 14000355
2-thiophen-2-yl-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135939587
(4-hydroxypiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 9245712
3-oxobutan-2-yl 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 16503779
3-(4-nitrophenyl)-1-phenyl-5-thiophen-2-ylpyrazole
CID 102358360
1-(4-nitrophenyl)-3-thiophen-2-ylpyrazol-5-amine
CID 43381256
3-(5-methyl-1-phenylpyrazol-3-yl)-4-phenyl-6-thiophen-2-yl-1H-pyridin-2-one
CID 137276811
N'-(4-fluorobenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide
CID 7946021
(3,3-dimethyl-2-oxobutyl) 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 7221865
[(1S)-1-cyanoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 7214590

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one?
The IUPAC name of 4,6-diphenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one (CID 12964793) is 4,6-diphenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one.
What is the SMILES notation for 4,6-diphenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one?
The canonical SMILES for 4,6-diphenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one is O=c1n(-c2ccccc2)nc(-c2ccccc2)c2cc(-c3cccs3)nn12.
What is the InChIKey of 4,6-diphenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one?
The InChIKey is FFCYQNBVOWTFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4OS/c26-21-24(16-10-5-2-6-11-16)23-20(15-8-3-1-4-9-15)18-14-17(22-25(18)21)19-12-7-13-27-19/h1-14H.
What are the key properties of 4,6-diphenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one?
4,6-diphenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one has a molecular weight of 370.44 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one is sourced from PubChem (CID 12964793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).