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

C10H7ClN4S — CID 719730

IUPAC6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESClc1ccc(C2=Nn3cnnc3SC2)cc1
InChIInChI=1S/C10H7ClN4S/c11-8-3-1-7(2-4-8)9-5-16-10-13-12-6-15(10)14-9/h1-4,6H,5H2
InChIKeyYASPIEJPERVSMC-UHFFFAOYSA-N
MW250.71 g/mol
LogP2.29
Rot. Bonds1

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

6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 719730) has the molecular formula C10H7ClN4S and a molecular weight of 250.71 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID719730
Molecular FormulaC10H7ClN4S
Molecular Weight250.71 g/mol
Exact Mass250.01
IUPAC Name6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESClc1ccc(C2=Nn3cnnc3SC2)cc1
InChIInChI=1S/C10H7ClN4S/c11-8-3-1-7(2-4-8)9-5-16-10-13-12-6-15(10)14-9/h1-4,6H,5H2
InChIKeyYASPIEJPERVSMC-UHFFFAOYSA-N
XLogP2.29
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chlorophenyl)-3-ethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 700710
6-(4-chlorophenyl)-3-isopropyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine hydrobromide
CID 2969534
(E)-N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(5-chloro-2-fluorophenyl)methanimine
CID 9648274
6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 686804
3-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazole
CID 903937
6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 966916
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
6-(4-chlorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 684974
3-(((4-chlorophenyl)methyl)sulfanyl)-4H-1,2,4-triazol-4-amine
CID 2364771
2-[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetate
CID 85027557
6-(4-chlorophenyl)-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 2789849
3-tert-butyl-6-(4-chlorophenyl)-7-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 4876445

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 719730) is 6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is Clc1ccc(C2=Nn3cnnc3SC2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is YASPIEJPERVSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4S/c11-8-3-1-7(2-4-8)9-5-16-10-13-12-6-15(10)14-9/h1-4,6H,5H2.
What are the key properties of 6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 250.71 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 719730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).