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

C12H12N4OS — CID 663262

IUPAC3-(2-methoxyphenyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCOc1ccccc1-c1nnc2n1N=C(C)CS2
InChIInChI=1S/C12H12N4OS/c1-8-7-18-12-14-13-11(16(12)15-8)9-5-3-4-6-10(9)17-2/h3-6H,7H2,1-2H3
InChIKeyDUJFFONPZLTPNV-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.28
Rot. Bonds2

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

3-(2-methoxyphenyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 663262) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID663262
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name3-(2-methoxyphenyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCOc1ccccc1-c1nnc2n1N=C(C)CS2
InChIInChI=1S/C12H12N4OS/c1-8-7-18-12-14-13-11(16(12)15-8)9-5-3-4-6-10(9)17-2/h3-6H,7H2,1-2H3
InChIKeyDUJFFONPZLTPNV-UHFFFAOYSA-N
XLogP2.28
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 3-(2-methoxyphenyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 663262) is 3-(2-methoxyphenyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 3-(2-methoxyphenyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 3-(2-methoxyphenyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is COc1ccccc1-c1nnc2n1N=C(C)CS2.
What is the InChIKey of 3-(2-methoxyphenyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is DUJFFONPZLTPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-8-7-18-12-14-13-11(16(12)15-8)9-5-3-4-6-10(9)17-2/h3-6H,7H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
3-(2-methoxyphenyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 260.32 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 663262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).