7-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-2-(furan-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

C19H16N4O5S — CID 50786603

IUPAC7-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-2-(furan-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCOc1ccc(OC)c(C(=O)CSc2n[nH]c(=O)c3cc(-c4ccco4)nn23)c1
InChIInChI=1S/C19H16N4O5S/c1-26-11-5-6-16(27-2)12(8-11)15(24)10-29-19-21-20-18(25)14-9-13(22-23(14)19)17-4-3-7-28-17/h3-9H,10H2,1-2H3,(H,20,25)
InChIKeyXPUKHYKTSYCYRB-UHFFFAOYSA-N
MW412.43 g/mol
LogP2.67
Rot. Bonds7

About 7-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-2-(furan-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

7-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-2-(furan-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 50786603) has the molecular formula C19H16N4O5S and a molecular weight of 412.43 g/mol. Its IUPAC name is 7-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-2-(furan-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-2-(furan-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID50786603
Molecular FormulaC19H16N4O5S
Molecular Weight412.43 g/mol
Exact Mass412.08
IUPAC Name7-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-2-(furan-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCOc1ccc(OC)c(C(=O)CSc2n[nH]c(=O)c3cc(-c4ccco4)nn23)c1
InChIInChI=1S/C19H16N4O5S/c1-26-11-5-6-16(27-2)12(8-11)15(24)10-29-19-21-20-18(25)14-9-13(22-23(14)19)17-4-3-7-28-17/h3-9H,10H2,1-2H3,(H,20,25)
InChIKeyXPUKHYKTSYCYRB-UHFFFAOYSA-N
XLogP2.67
TPSA111.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-2-(furan-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(furan-2-yl)-7-(2-methylpropylsulfanyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 50786580
7-[[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-2-(furan-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 27373951
N-cyclohexyl-2-[[2-(furan-2-yl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]acetamide
CID 27373732
7-[(4-chlorophenyl)methylsulfanyl]-2-(furan-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 27373910
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone
CID 6404288
7-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-2-(furan-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 27373937
2-[[2-(3,4-dimethoxyphenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 50771662
2-[[2-(3,4-dimethoxyphenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]-N-phenylacetamide
CID 50771643
2-(3,4-dimethoxyphenyl)-7-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 50771695
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,5-dimethoxyphenyl)ethanone
CID 39006163
2-[[2-(3,4-dimethoxyphenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 50771545
1-(2,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 649108

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-2-(furan-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 7-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-2-(furan-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one (CID 50786603) is 7-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-2-(furan-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 7-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-2-(furan-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 7-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-2-(furan-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one is COc1ccc(OC)c(C(=O)CSc2n[nH]c(=O)c3cc(-c4ccco4)nn23)c1.
What is the InChIKey of 7-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-2-(furan-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is XPUKHYKTSYCYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5S/c1-26-11-5-6-16(27-2)12(8-11)15(24)10-29-19-21-20-18(25)14-9-13(22-23(14)19)17-4-3-7-28-17/h3-9H,10H2,1-2H3,(H,20,25).
What are the key properties of 7-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-2-(furan-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
7-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-2-(furan-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 412.43 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-2-(furan-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 50786603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).