7-chloro-1-pyridin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine

C14H9ClN4S — CID 24847197

IUPAC7-chloro-1-pyridin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
SMILESClc1ccc2c(c1)SCc1nnc(-c3cccnc3)n1-2
InChIInChI=1S/C14H9ClN4S/c15-10-3-4-11-12(6-10)20-8-13-17-18-14(19(11)13)9-2-1-5-16-7-9/h1-7H,8H2
InChIKeyHLUSMLJTGPRKHP-UHFFFAOYSA-N
MW300.77 g/mol
LogP3.59
Rot. Bonds1

About 7-chloro-1-pyridin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine

7-chloro-1-pyridin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine (PubChem CID 24847197) has the molecular formula C14H9ClN4S and a molecular weight of 300.77 g/mol. Its IUPAC name is 7-chloro-1-pyridin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine.

Molecular Properties

Compound Name7-chloro-1-pyridin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
PubChem CID24847197
Molecular FormulaC14H9ClN4S
Molecular Weight300.77 g/mol
Exact Mass300.02
IUPAC Name7-chloro-1-pyridin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
SMILESClc1ccc2c(c1)SCc1nnc(-c3cccnc3)n1-2
InChIInChI=1S/C14H9ClN4S/c15-10-3-4-11-12(6-10)20-8-13-17-18-14(19(11)13)9-2-1-5-16-7-9/h1-7H,8H2
InChIKeyHLUSMLJTGPRKHP-UHFFFAOYSA-N
XLogP3.59
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-pyridin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The IUPAC name of 7-chloro-1-pyridin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine (CID 24847197) is 7-chloro-1-pyridin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine.
What is the SMILES notation for 7-chloro-1-pyridin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The canonical SMILES for 7-chloro-1-pyridin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine is Clc1ccc2c(c1)SCc1nnc(-c3cccnc3)n1-2.
What is the InChIKey of 7-chloro-1-pyridin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The InChIKey is HLUSMLJTGPRKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4S/c15-10-3-4-11-12(6-10)20-8-13-17-18-14(19(11)13)9-2-1-5-16-7-9/h1-7H,8H2.
What are the key properties of 7-chloro-1-pyridin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
7-chloro-1-pyridin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine has a molecular weight of 300.77 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-pyridin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine is sourced from PubChem (CID 24847197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).