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

C15H9Cl2N3S — CID 24847200

IUPAC1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
SMILESClc1ccc(-c2nnc3n2-c2ccccc2SC3)c(Cl)c1
InChIInChI=1S/C15H9Cl2N3S/c16-9-5-6-10(11(17)7-9)15-19-18-14-8-21-13-4-2-1-3-12(13)20(14)15/h1-7H,8H2
InChIKeyRYXANBNLULTLBP-UHFFFAOYSA-N
MW334.23 g/mol
LogP4.85
Rot. Bonds1

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

1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine (PubChem CID 24847200) has the molecular formula C15H9Cl2N3S and a molecular weight of 334.23 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
PubChem CID24847200
Molecular FormulaC15H9Cl2N3S
Molecular Weight334.23 g/mol
Exact Mass332.99
IUPAC Name1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
SMILESClc1ccc(-c2nnc3n2-c2ccccc2SC3)c(Cl)c1
InChIInChI=1S/C15H9Cl2N3S/c16-9-5-6-10(11(17)7-9)15-19-18-14-8-21-13-4-2-1-3-12(13)20(14)15/h1-7H,8H2
InChIKeyRYXANBNLULTLBP-UHFFFAOYSA-N
XLogP4.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The IUPAC name of 1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine (CID 24847200) is 1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine is Clc1ccc(-c2nnc3n2-c2ccccc2SC3)c(Cl)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The InChIKey is RYXANBNLULTLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3S/c16-9-5-6-10(11(17)7-9)15-19-18-14-8-21-13-4-2-1-3-12(13)20(14)15/h1-7H,8H2.
What are the key properties of 1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine has a molecular weight of 334.23 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine is sourced from PubChem (CID 24847200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).