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

C12H9N3OS — CID 783803

IUPAC6-methyl-3-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
SMILESCc1nn2c(-c3ccccc3)csc2nc1=O
InChIInChI=1S/C12H9N3OS/c1-8-11(16)13-12-15(14-8)10(7-17-12)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyGLHCMZKEHJNEAY-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.13
Rot. Bonds1

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

6-methyl-3-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one (PubChem CID 783803) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 6-methyl-3-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one.

Molecular Properties

Compound Name6-methyl-3-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
PubChem CID783803
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name6-methyl-3-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
SMILESCc1nn2c(-c3ccccc3)csc2nc1=O
InChIInChI=1S/C12H9N3OS/c1-8-11(16)13-12-15(14-8)10(7-17-12)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyGLHCMZKEHJNEAY-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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Related Compounds

3-methyl-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 976285
6-Methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one;hydrobromide
CID 6602873
2-(3-Methyl-5-phenyl-4,5-dihydro-1h-pyrazol-1-yl)-1,3-thiazol-4(5h)-one
CID 11161257
2-Ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 620883
7-methyl-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 319066
2-Methyl-7-phenyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one
CID 618314
2-(3-Methyl-5-phenyl-4,5-dihydro-1h-pyrazol-1-yl)-5,6-dihydro-4h-1,3-thiazin-4-one
CID 12077091
6-Methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 2310877
5-Phenyl-2-(trifluoromethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one
CID 568454
N-[(4-fluorophenyl)methyl]-2-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide
CID 141534395
5H-thiazolo[3,2-a]pyrimidine-5,7(6H)-dione, 3-phenyl-
CID 21239835
6,8,8-trimethyl-3-phenyl-7H-1,3-thiazolino[3,2-b]1,2,4-triazepine
CID 5051015

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The IUPAC name of 6-methyl-3-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one (CID 783803) is 6-methyl-3-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one.
What is the SMILES notation for 6-methyl-3-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The canonical SMILES for 6-methyl-3-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one is Cc1nn2c(-c3ccccc3)csc2nc1=O.
What is the InChIKey of 6-methyl-3-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The InChIKey is GLHCMZKEHJNEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-8-11(16)13-12-15(14-8)10(7-17-12)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 6-methyl-3-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
6-methyl-3-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 6-methyl-3-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one is sourced from PubChem (CID 783803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).