3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one

C11H9N3OS — CID 13169722

IUPAC3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
SMILESO=c1c(-c2ccccc2)nnc2n1CCS2
InChIInChI=1S/C11H9N3OS/c15-10-9(8-4-2-1-3-5-8)12-13-11-14(10)6-7-16-11/h1-5H,6-7H2
InChIKeyXAPZGOGOGZTORK-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.41
Rot. Bonds1

About 3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one

3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one (PubChem CID 13169722) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
PubChem CID13169722
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
SMILESO=c1c(-c2ccccc2)nnc2n1CCS2
InChIInChI=1S/C11H9N3OS/c15-10-9(8-4-2-1-3-5-8)12-13-11-14(10)6-7-16-11/h1-5H,6-7H2
InChIKeyXAPZGOGOGZTORK-UHFFFAOYSA-N
XLogP1.41
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one?
The IUPAC name of 3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one (CID 13169722) is 3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one.
What is the SMILES notation for 3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one?
The canonical SMILES for 3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one is O=c1c(-c2ccccc2)nnc2n1CCS2.
What is the InChIKey of 3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one?
The InChIKey is XAPZGOGOGZTORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c15-10-9(8-4-2-1-3-5-8)12-13-11-14(10)6-7-16-11/h1-5H,6-7H2.
What are the key properties of 3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one?
3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one has a molecular weight of 231.28 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one is sourced from PubChem (CID 13169722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).