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

C10H8N4S — CID 966916

IUPAC6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESc1ccc(C2=Nn3cnnc3SC2)cc1
InChIInChI=1S/C10H8N4S/c1-2-4-8(5-3-1)9-6-15-10-12-11-7-14(10)13-9/h1-5,7H,6H2
InChIKeyFGJKILJJRFLVCH-UHFFFAOYSA-N
MW216.27 g/mol
LogP1.64
Rot. Bonds1

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

6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 966916) has the molecular formula C10H8N4S and a molecular weight of 216.27 g/mol. Its IUPAC name is 6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID966916
Molecular FormulaC10H8N4S
Molecular Weight216.27 g/mol
Exact Mass216.05
IUPAC Name6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESc1ccc(C2=Nn3cnnc3SC2)cc1
InChIInChI=1S/C10H8N4S/c1-2-4-8(5-3-1)9-6-15-10-12-11-7-14(10)13-9/h1-5,7H,6H2
InChIKeyFGJKILJJRFLVCH-UHFFFAOYSA-N
XLogP1.64
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 927328
3-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazole
CID 780423
N-(1-phenylethylidene)-N-(4H-1,2,4-triazol-4-yl)amine
CID 5410104
3-Ethyl-6-phenyl-7H-[1,2,4]triazolo[3,4-B][1,3,4]thiadiazine hydrobromide
CID 24747650
(E)-1-(2-Fluorophenyl)-N-[3-(methylsulfanyl)-4H-1,2,4-triazol-4-YL]methanimine
CID 9648278
3-Methyl-6-phenyl-7H-(1,2,4)triazolo(3,4-B)(1,3,4)thiadiazine hydrobromide
CID 24747648
6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 686804
ST50114220
CID 719730
10-Thia-12,13,15,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,11,13-hexaene
CID 21542008
10-Thia-12,13,15,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,8,11,13-heptaene
CID 56642152
(E)-N-[3-(Benzylsulfanyl)-4H-1,2,4-triazol-4-YL]-1-[3-(trifluoromethyl)phenyl]methanimine
CID 9629654
9-Methyl-10,10a-dihydroindeno[1,2-e][1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 54753642

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 966916) is 6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is c1ccc(C2=Nn3cnnc3SC2)cc1.
What is the InChIKey of 6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is FGJKILJJRFLVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S/c1-2-4-8(5-3-1)9-6-15-10-12-11-7-14(10)13-9/h1-5,7H,6H2.
What are the key properties of 6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 216.27 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 966916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).