6-(2,5-dimethoxyphenyl)-3-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C19H18N4O2S — CID 3393127

IUPAC6-(2,5-dimethoxyphenyl)-3-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCOc1ccc(OC)c(C2=Nn3c(nnc3-c3ccccc3C)SC2)c1
InChIInChI=1S/C19H18N4O2S/c1-12-6-4-5-7-14(12)18-20-21-19-23(18)22-16(11-26-19)15-10-13(24-2)8-9-17(15)25-3/h4-10H,11H2,1-3H3
InChIKeyLRXJVBMZSZBHFH-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.63
Rot. Bonds4

About 6-(2,5-dimethoxyphenyl)-3-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

6-(2,5-dimethoxyphenyl)-3-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 3393127) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)-3-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)-3-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID3393127
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name6-(2,5-dimethoxyphenyl)-3-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCOc1ccc(OC)c(C2=Nn3c(nnc3-c3ccccc3C)SC2)c1
InChIInChI=1S/C19H18N4O2S/c1-12-6-4-5-7-14(12)18-20-21-19-23(18)22-16(11-26-19)15-10-13(24-2)8-9-17(15)25-3/h4-10H,11H2,1-3H3
InChIKeyLRXJVBMZSZBHFH-UHFFFAOYSA-N
XLogP3.63
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)-3-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-(2,5-dimethoxyphenyl)-3-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 3393127) is 6-(2,5-dimethoxyphenyl)-3-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)-3-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)-3-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is COc1ccc(OC)c(C2=Nn3c(nnc3-c3ccccc3C)SC2)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)-3-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is LRXJVBMZSZBHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-12-6-4-5-7-14(12)18-20-21-19-23(18)22-16(11-26-19)15-10-13(24-2)8-9-17(15)25-3/h4-10H,11H2,1-3H3.
What are the key properties of 6-(2,5-dimethoxyphenyl)-3-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-(2,5-dimethoxyphenyl)-3-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 366.45 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)-3-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 3393127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).