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

C15H18N4O2S — CID 658894

IUPAC6-(3,4-dimethoxyphenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCCCc1nnc2n1N=C(c1ccc(OC)c(OC)c1)CS2
InChIInChI=1S/C15H18N4O2S/c1-4-5-14-16-17-15-19(14)18-11(9-22-15)10-6-7-12(20-2)13(8-10)21-3/h6-8H,4-5,9H2,1-3H3
InChIKeyMWEBTRAFRKXWQA-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.61
Rot. Bonds5

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

6-(3,4-dimethoxyphenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 658894) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID658894
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name6-(3,4-dimethoxyphenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCCCc1nnc2n1N=C(c1ccc(OC)c(OC)c1)CS2
InChIInChI=1S/C15H18N4O2S/c1-4-5-14-16-17-15-19(14)18-11(9-22-15)10-6-7-12(20-2)13(8-10)21-3/h6-8H,4-5,9H2,1-3H3
InChIKeyMWEBTRAFRKXWQA-UHFFFAOYSA-N
XLogP2.61
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 658894) is 6-(3,4-dimethoxyphenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is CCCc1nnc2n1N=C(c1ccc(OC)c(OC)c1)CS2.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is MWEBTRAFRKXWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-4-5-14-16-17-15-19(14)18-11(9-22-15)10-6-7-12(20-2)13(8-10)21-3/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-(3,4-dimethoxyphenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 318.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 658894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).