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

C15H10ClN3S — CID 3062854

IUPAC8-chloro-1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
SMILESClc1ccc2c(c1)-n1c(nnc1-c1ccccc1)CS2
InChIInChI=1S/C15H10ClN3S/c16-11-6-7-13-12(8-11)19-14(9-20-13)17-18-15(19)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyKEWLKPZQVXDXNH-UHFFFAOYSA-N
MW299.79 g/mol
LogP4.19
Rot. Bonds1

About 8-chloro-1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine

8-chloro-1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine (PubChem CID 3062854) has the molecular formula C15H10ClN3S and a molecular weight of 299.79 g/mol. Its IUPAC name is 8-chloro-1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine.

Molecular Properties

Compound Name8-chloro-1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
PubChem CID3062854
Molecular FormulaC15H10ClN3S
Molecular Weight299.79 g/mol
Exact Mass299.03
IUPAC Name8-chloro-1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
SMILESClc1ccc2c(c1)-n1c(nnc1-c1ccccc1)CS2
InChIInChI=1S/C15H10ClN3S/c16-11-6-7-13-12(8-11)19-14(9-20-13)17-18-15(19)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyKEWLKPZQVXDXNH-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 8-chloro-1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The IUPAC name of 8-chloro-1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine (CID 3062854) is 8-chloro-1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine.
What is the SMILES notation for 8-chloro-1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The canonical SMILES for 8-chloro-1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine is Clc1ccc2c(c1)-n1c(nnc1-c1ccccc1)CS2.
What is the InChIKey of 8-chloro-1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The InChIKey is KEWLKPZQVXDXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3S/c16-11-6-7-13-12(8-11)19-14(9-20-13)17-18-15(19)10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 8-chloro-1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
8-chloro-1-phenyl-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 8-chloro-1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine is sourced from PubChem (CID 3062854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).