2-(2-methoxy-4-methylsulfinylphenyl)-7H-imidazo[1,2-d][1,2,4]triazin-8-one

C13H12N4O3S — CID 70460164

IUPAC2-(2-methoxy-4-methylsulfinylphenyl)-7H-imidazo[1,2-d][1,2,4]triazin-8-one
SMILESCOc1cc(S(C)=O)ccc1-c1cn2cn[nH]c(=O)c2n1
InChIInChI=1S/C13H12N4O3S/c1-20-11-5-8(21(2)19)3-4-9(11)10-6-17-7-14-16-13(18)12(17)15-10/h3-7H,1-2H3,(H,16,18)
InChIKeySDBMTHYUQRUXLL-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.83
Rot. Bonds3

About 2-(2-methoxy-4-methylsulfinylphenyl)-7H-imidazo[1,2-d][1,2,4]triazin-8-one

2-(2-methoxy-4-methylsulfinylphenyl)-7H-imidazo[1,2-d][1,2,4]triazin-8-one (PubChem CID 70460164) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylsulfinylphenyl)-7H-imidazo[1,2-d][1,2,4]triazin-8-one.

Molecular Properties

Compound Name2-(2-methoxy-4-methylsulfinylphenyl)-7H-imidazo[1,2-d][1,2,4]triazin-8-one
PubChem CID70460164
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC Name2-(2-methoxy-4-methylsulfinylphenyl)-7H-imidazo[1,2-d][1,2,4]triazin-8-one
SMILESCOc1cc(S(C)=O)ccc1-c1cn2cn[nH]c(=O)c2n1
InChIInChI=1S/C13H12N4O3S/c1-20-11-5-8(21(2)19)3-4-9(11)10-6-17-7-14-16-13(18)12(17)15-10/h3-7H,1-2H3,(H,16,18)
InChIKeySDBMTHYUQRUXLL-UHFFFAOYSA-N
XLogP0.83
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylsulfinylphenyl)-7H-imidazo[1,2-d][1,2,4]triazin-8-one?
The IUPAC name of 2-(2-methoxy-4-methylsulfinylphenyl)-7H-imidazo[1,2-d][1,2,4]triazin-8-one (CID 70460164) is 2-(2-methoxy-4-methylsulfinylphenyl)-7H-imidazo[1,2-d][1,2,4]triazin-8-one.
What is the SMILES notation for 2-(2-methoxy-4-methylsulfinylphenyl)-7H-imidazo[1,2-d][1,2,4]triazin-8-one?
The canonical SMILES for 2-(2-methoxy-4-methylsulfinylphenyl)-7H-imidazo[1,2-d][1,2,4]triazin-8-one is COc1cc(S(C)=O)ccc1-c1cn2cn[nH]c(=O)c2n1.
What is the InChIKey of 2-(2-methoxy-4-methylsulfinylphenyl)-7H-imidazo[1,2-d][1,2,4]triazin-8-one?
The InChIKey is SDBMTHYUQRUXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c1-20-11-5-8(21(2)19)3-4-9(11)10-6-17-7-14-16-13(18)12(17)15-10/h3-7H,1-2H3,(H,16,18).
What are the key properties of 2-(2-methoxy-4-methylsulfinylphenyl)-7H-imidazo[1,2-d][1,2,4]triazin-8-one?
2-(2-methoxy-4-methylsulfinylphenyl)-7H-imidazo[1,2-d][1,2,4]triazin-8-one has a molecular weight of 304.33 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylsulfinylphenyl)-7H-imidazo[1,2-d][1,2,4]triazin-8-one is sourced from PubChem (CID 70460164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).