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

C13H14N4O2S — CID 50786580

IUPAC2-(furan-2-yl)-7-(2-methylpropylsulfanyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCC(C)CSc1n[nH]c(=O)c2cc(-c3ccco3)nn12
InChIInChI=1S/C13H14N4O2S/c1-8(2)7-20-13-15-14-12(18)10-6-9(16-17(10)13)11-4-3-5-19-11/h3-6,8H,7H2,1-2H3,(H,14,18)
InChIKeyISAHPXVUORSXHC-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.43
Rot. Bonds4

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

2-(furan-2-yl)-7-(2-methylpropylsulfanyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 50786580) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-7-(2-methylpropylsulfanyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-(furan-2-yl)-7-(2-methylpropylsulfanyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID50786580
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name2-(furan-2-yl)-7-(2-methylpropylsulfanyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCC(C)CSc1n[nH]c(=O)c2cc(-c3ccco3)nn12
InChIInChI=1S/C13H14N4O2S/c1-8(2)7-20-13-15-14-12(18)10-6-9(16-17(10)13)11-4-3-5-19-11/h3-6,8H,7H2,1-2H3,(H,14,18)
InChIKeyISAHPXVUORSXHC-UHFFFAOYSA-N
XLogP2.43
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-7-(2-methylpropylsulfanyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 2-(furan-2-yl)-7-(2-methylpropylsulfanyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one (CID 50786580) is 2-(furan-2-yl)-7-(2-methylpropylsulfanyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 2-(furan-2-yl)-7-(2-methylpropylsulfanyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 2-(furan-2-yl)-7-(2-methylpropylsulfanyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one is CC(C)CSc1n[nH]c(=O)c2cc(-c3ccco3)nn12.
What is the InChIKey of 2-(furan-2-yl)-7-(2-methylpropylsulfanyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is ISAHPXVUORSXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-8(2)7-20-13-15-14-12(18)10-6-9(16-17(10)13)11-4-3-5-19-11/h3-6,8H,7H2,1-2H3,(H,14,18).
What are the key properties of 2-(furan-2-yl)-7-(2-methylpropylsulfanyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
2-(furan-2-yl)-7-(2-methylpropylsulfanyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 290.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-7-(2-methylpropylsulfanyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 50786580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).