6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C11H8F2N4OS — CID 20994532

IUPAC6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESFC(F)Oc1ccc(C2=Nn3cnnc3SC2)cc1
InChIInChI=1S/C11H8F2N4OS/c12-10(13)18-8-3-1-7(2-4-8)9-5-19-11-15-14-6-17(11)16-9/h1-4,6,10H,5H2
InChIKeyDHJJUNBJKFJRTH-UHFFFAOYSA-N
MW282.28 g/mol
LogP2.24
Rot. Bonds3

About 6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 20994532) has the molecular formula C11H8F2N4OS and a molecular weight of 282.28 g/mol. Its IUPAC name is 6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID20994532
Molecular FormulaC11H8F2N4OS
Molecular Weight282.28 g/mol
Exact Mass282.04
IUPAC Name6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESFC(F)Oc1ccc(C2=Nn3cnnc3SC2)cc1
InChIInChI=1S/C11H8F2N4OS/c12-10(13)18-8-3-1-7(2-4-8)9-5-19-11-15-14-6-17(11)16-9/h1-4,6,10H,5H2
InChIKeyDHJJUNBJKFJRTH-UHFFFAOYSA-N
XLogP2.24
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 20994532) is 6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is FC(F)Oc1ccc(C2=Nn3cnnc3SC2)cc1.
What is the InChIKey of 6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is DHJJUNBJKFJRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4OS/c12-10(13)18-8-3-1-7(2-4-8)9-5-19-11-15-14-6-17(11)16-9/h1-4,6,10H,5H2.
What are the key properties of 6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 282.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 20994532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).