6-(2-aminophenyl)-3-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one

C12H10N4OS — CID 762675

IUPAC6-(2-aminophenyl)-3-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
SMILESCc1csc2nc(=O)c(-c3ccccc3N)nn12
InChIInChI=1S/C12H10N4OS/c1-7-6-18-12-14-11(17)10(15-16(7)12)8-4-2-3-5-9(8)13/h2-6H,13H2,1H3
InChIKeyUQCMJGBPQQMKIO-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.71
Rot. Bonds1

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

6-(2-aminophenyl)-3-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one (PubChem CID 762675) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 6-(2-aminophenyl)-3-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one.

Molecular Properties

Compound Name6-(2-aminophenyl)-3-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
PubChem CID762675
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name6-(2-aminophenyl)-3-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
SMILESCc1csc2nc(=O)c(-c3ccccc3N)nn12
InChIInChI=1S/C12H10N4OS/c1-7-6-18-12-14-11(17)10(15-16(7)12)8-4-2-3-5-9(8)13/h2-6H,13H2,1H3
InChIKeyUQCMJGBPQQMKIO-UHFFFAOYSA-N
XLogP1.71
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminophenyl)-3-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The IUPAC name of 6-(2-aminophenyl)-3-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one (CID 762675) is 6-(2-aminophenyl)-3-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one.
What is the SMILES notation for 6-(2-aminophenyl)-3-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The canonical SMILES for 6-(2-aminophenyl)-3-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one is Cc1csc2nc(=O)c(-c3ccccc3N)nn12.
What is the InChIKey of 6-(2-aminophenyl)-3-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The InChIKey is UQCMJGBPQQMKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-7-6-18-12-14-11(17)10(15-16(7)12)8-4-2-3-5-9(8)13/h2-6H,13H2,1H3.
What are the key properties of 6-(2-aminophenyl)-3-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
6-(2-aminophenyl)-3-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one has a molecular weight of 258.31 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminophenyl)-3-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one is sourced from PubChem (CID 762675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).