3-methyl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one

C12H9N3OS — CID 976285

IUPAC3-methyl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
SMILESCc1csc2nc(=O)c(-c3ccccc3)nn12
InChIInChI=1S/C12H9N3OS/c1-8-7-17-12-13-11(16)10(14-15(8)12)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyWJOWAWSKAUYOOO-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.13
Rot. Bonds1

About 3-methyl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one

3-methyl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one (PubChem CID 976285) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-methyl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one.

Molecular Properties

Compound Name3-methyl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
PubChem CID976285
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name3-methyl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
SMILESCc1csc2nc(=O)c(-c3ccccc3)nn12
InChIInChI=1S/C12H9N3OS/c1-8-7-17-12-13-11(16)10(14-15(8)12)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyWJOWAWSKAUYOOO-UHFFFAOYSA-N
XLogP2.13
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The IUPAC name of 3-methyl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one (CID 976285) is 3-methyl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one.
What is the SMILES notation for 3-methyl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The canonical SMILES for 3-methyl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one is Cc1csc2nc(=O)c(-c3ccccc3)nn12.
What is the InChIKey of 3-methyl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The InChIKey is WJOWAWSKAUYOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-8-7-17-12-13-11(16)10(14-15(8)12)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 3-methyl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
3-methyl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one has a molecular weight of 243.29 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one is sourced from PubChem (CID 976285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).