1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine

C15H11N3S — CID 2816686

IUPAC1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
SMILESc1ccc(-c2nnc3n2-c2ccccc2SC3)cc1
InChIInChI=1S/C15H11N3S/c1-2-6-11(7-3-1)15-17-16-14-10-19-13-9-5-4-8-12(13)18(14)15/h1-9H,10H2
InChIKeyWQARVURHVSYYCZ-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.54
Rot. Bonds1

About 1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine

1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine (PubChem CID 2816686) has the molecular formula C15H11N3S and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine.

Molecular Properties

Compound Name1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
PubChem CID2816686
Molecular FormulaC15H11N3S
Molecular Weight265.34 g/mol
Exact Mass265.07
IUPAC Name1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
SMILESc1ccc(-c2nnc3n2-c2ccccc2SC3)cc1
InChIInChI=1S/C15H11N3S/c1-2-6-11(7-3-1)15-17-16-14-10-19-13-9-5-4-8-12(13)18(14)15/h1-9H,10H2
InChIKeyWQARVURHVSYYCZ-UHFFFAOYSA-N
XLogP3.54
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4H-(1,2,4)Triazolo(3,4-c)(1,4)benzothiazine, 1-(4-pyridinyl)-
CID 2816684
4H-(1,2,4)Triazolo(3,4-c)(1,4)benzothiazine, 1-(4-chlorophenyl)-
CID 2816775
1-(2-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
CID 2816683
2-[(4,5-Diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenothiazin-10-ylethanone
CID 2301970
(2E)-2-[3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-ylidene]-2-(4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-yl)acetonitrile
CID 2324715
(2E)-2-[4-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-ylidene]-2-(4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-yl)acetonitrile
CID 2330332
3-Bromodibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepine
CID 827103
4H-(1,2,4)Triazolo(3,4-c)(1,4)benzothiazine, 1-(2-thienyl)-
CID 2816685
Dibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepine
CID 827102
N,4-dimethyl-N-[[4-(4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-yl)phenyl]methyl]benzenesulfonamide
CID 2100799
(2Z)-2-[4-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-ylidene]-2-(4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-yl)acetonitrile
CID 2330331
4H-(1,2,4)Triazolo(3,4-c)(1,4)benzothiazine, 8-chloro-1-phenyl-
CID 3062854

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The IUPAC name of 1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine (CID 2816686) is 1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine.
What is the SMILES notation for 1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The canonical SMILES for 1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine is c1ccc(-c2nnc3n2-c2ccccc2SC3)cc1.
What is the InChIKey of 1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The InChIKey is WQARVURHVSYYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3S/c1-2-6-11(7-3-1)15-17-16-14-10-19-13-9-5-4-8-12(13)18(14)15/h1-9H,10H2.
What are the key properties of 1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine has a molecular weight of 265.34 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine is sourced from PubChem (CID 2816686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).