1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine

C15H10ClN3S — CID 2816775

IUPAC1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
SMILESClc1ccc(-c2nnc3n2-c2ccccc2SC3)cc1
InChIInChI=1S/C15H10ClN3S/c16-11-7-5-10(6-8-11)15-18-17-14-9-20-13-4-2-1-3-12(13)19(14)15/h1-8H,9H2
InChIKeyIADALGZSLGFTFO-UHFFFAOYSA-N
MW299.79 g/mol
LogP4.19
Rot. Bonds1

About 1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine

1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine (PubChem CID 2816775) has the molecular formula C15H10ClN3S and a molecular weight of 299.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
PubChem CID2816775
Molecular FormulaC15H10ClN3S
Molecular Weight299.79 g/mol
Exact Mass299.03
IUPAC Name1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
SMILESClc1ccc(-c2nnc3n2-c2ccccc2SC3)cc1
InChIInChI=1S/C15H10ClN3S/c16-11-7-5-10(6-8-11)15-18-17-14-9-20-13-4-2-1-3-12(13)19(14)15/h1-8H,9H2
InChIKeyIADALGZSLGFTFO-UHFFFAOYSA-N
XLogP4.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.79
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The IUPAC name of 1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine (CID 2816775) is 1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The canonical SMILES for 1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine is Clc1ccc(-c2nnc3n2-c2ccccc2SC3)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The InChIKey is IADALGZSLGFTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3S/c16-11-7-5-10(6-8-11)15-18-17-14-9-20-13-4-2-1-3-12(13)19(14)15/h1-8H,9H2.
What are the key properties of 1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine has a molecular weight of 299.79 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine is sourced from PubChem (CID 2816775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).