7-[3,5-bis(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one

C12H4F6N4OS — CID 135745141

IUPAC7-[3,5-bis(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one
SMILESO=c1[nH]nnc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nsc12
InChIInChI=1S/C12H4F6N4OS/c13-11(14,15)5-1-4(2-6(3-5)12(16,17)18)7-8-9(24-21-7)10(23)20-22-19-8/h1-3H,(H,19,20,23)
InChIKeyOLRYVXHSRANXPE-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.48
Rot. Bonds1

About 7-[3,5-bis(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one

7-[3,5-bis(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one (PubChem CID 135745141) has the molecular formula C12H4F6N4OS and a molecular weight of 366.25 g/mol. Its IUPAC name is 7-[3,5-bis(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one.

Molecular Properties

Compound Name7-[3,5-bis(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one
PubChem CID135745141
Molecular FormulaC12H4F6N4OS
Molecular Weight366.25 g/mol
Exact Mass366.00
IUPAC Name7-[3,5-bis(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one
SMILESO=c1[nH]nnc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nsc12
InChIInChI=1S/C12H4F6N4OS/c13-11(14,15)5-1-4(2-6(3-5)12(16,17)18)7-8-9(24-21-7)10(23)20-22-19-8/h1-3H,(H,19,20,23)
InChIKeyOLRYVXHSRANXPE-UHFFFAOYSA-N
XLogP3.48
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[3,5-bis(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one?
The IUPAC name of 7-[3,5-bis(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one (CID 135745141) is 7-[3,5-bis(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one.
What is the SMILES notation for 7-[3,5-bis(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one?
The canonical SMILES for 7-[3,5-bis(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one is O=c1[nH]nnc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nsc12.
What is the InChIKey of 7-[3,5-bis(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one?
The InChIKey is OLRYVXHSRANXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4F6N4OS/c13-11(14,15)5-1-4(2-6(3-5)12(16,17)18)7-8-9(24-21-7)10(23)20-22-19-8/h1-3H,(H,19,20,23).
What are the key properties of 7-[3,5-bis(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one?
7-[3,5-bis(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one has a molecular weight of 366.25 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3,5-bis(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one is sourced from PubChem (CID 135745141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).