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

C16H12N4OS — CID 12964792

IUPAC4-methyl-6-phenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one
SMILESCc1nn(-c2ccccc2)c(=O)n2nc(-c3cccs3)cc12
InChIInChI=1S/C16H12N4OS/c1-11-14-10-13(15-8-5-9-22-15)18-20(14)16(21)19(17-11)12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyKHUBZQZKXNYZKW-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.92
Rot. Bonds2

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

4-methyl-6-phenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one (PubChem CID 12964792) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 4-methyl-6-phenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one.

Molecular Properties

Compound Name4-methyl-6-phenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one
PubChem CID12964792
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC Name4-methyl-6-phenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one
SMILESCc1nn(-c2ccccc2)c(=O)n2nc(-c3cccs3)cc12
InChIInChI=1S/C16H12N4OS/c1-11-14-10-13(15-8-5-9-22-15)18-20(14)16(21)19(17-11)12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyKHUBZQZKXNYZKW-UHFFFAOYSA-N
XLogP2.92
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(Thiophen-2-YL)pyrazolo[1,5-C]quinazolin-5(6H)-one
CID 135516677
1-(4-Fluorophenyl)-3-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
CID 2811558
1-Phenyl-3-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
CID 2811559
N-phenyl-5-(2-thiophen-2-ylethenyl)pyrazole-1-carboxamide
CID 2805985
2-(2-Thienyl)-4,6-diphenylpyrazolo[1,5-d][1,2,4]-triazin-7(6h)-one
CID 12964793
1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-(2-fluorophenyl)urea
CID 42687518
1-(2,4-Difluorophenyl)-3-[5-ethyl-3-(thiophen-2-YL)-1H-pyrazol-4-YL]urea
CID 42687519
1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-(3-fluorophenyl)urea
CID 42874405
Bis[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]methanone
CID 49794421
1-(4-fluorophenyl)-3-(2-(5-methyl-3-(thiophen-2-yl)-1H-pyrazol-1-yl)ethyl)urea
CID 121169883
1-(2,6-difluorophenyl)-3-(2-(5-methyl-3-(thiophen-2-yl)-1H-pyrazol-1-yl)ethyl)urea
CID 121169892
1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-phenylurea
CID 42687516

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-phenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one?
The IUPAC name of 4-methyl-6-phenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one (CID 12964792) is 4-methyl-6-phenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one.
What is the SMILES notation for 4-methyl-6-phenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one?
The canonical SMILES for 4-methyl-6-phenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one is Cc1nn(-c2ccccc2)c(=O)n2nc(-c3cccs3)cc12.
What is the InChIKey of 4-methyl-6-phenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one?
The InChIKey is KHUBZQZKXNYZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c1-11-14-10-13(15-8-5-9-22-15)18-20(14)16(21)19(17-11)12-6-3-2-4-7-12/h2-10H,1H3.
What are the key properties of 4-methyl-6-phenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one?
4-methyl-6-phenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one has a molecular weight of 308.37 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one is sourced from PubChem (CID 12964792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).