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

C12H11ClN4S — CID 700710

IUPAC6-(4-chlorophenyl)-3-ethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCCc1nnc2n1N=C(c1ccc(Cl)cc1)CS2
InChIInChI=1S/C12H11ClN4S/c1-2-11-14-15-12-17(11)16-10(7-18-12)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3
InChIKeyFVLFZPYCQSCXQE-UHFFFAOYSA-N
MW278.77 g/mol
LogP2.85
Rot. Bonds2

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

6-(4-chlorophenyl)-3-ethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 700710) has the molecular formula C12H11ClN4S and a molecular weight of 278.77 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-ethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-ethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID700710
Molecular FormulaC12H11ClN4S
Molecular Weight278.77 g/mol
Exact Mass278.04
IUPAC Name6-(4-chlorophenyl)-3-ethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCCc1nnc2n1N=C(c1ccc(Cl)cc1)CS2
InChIInChI=1S/C12H11ClN4S/c1-2-11-14-15-12-17(11)16-10(7-18-12)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3
InChIKeyFVLFZPYCQSCXQE-UHFFFAOYSA-N
XLogP2.85
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.77
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-ethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-(4-chlorophenyl)-3-ethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 700710) is 6-(4-chlorophenyl)-3-ethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-(4-chlorophenyl)-3-ethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-(4-chlorophenyl)-3-ethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is CCc1nnc2n1N=C(c1ccc(Cl)cc1)CS2.
What is the InChIKey of 6-(4-chlorophenyl)-3-ethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is FVLFZPYCQSCXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4S/c1-2-11-14-15-12-17(11)16-10(7-18-12)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-3-ethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-(4-chlorophenyl)-3-ethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 278.77 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-ethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 700710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).