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

C14H10N4S — CID 2816684

IUPAC1-pyridin-4-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
SMILESc1ccc2c(c1)SCc1nnc(-c3ccncc3)n1-2
InChIInChI=1S/C14H10N4S/c1-2-4-12-11(3-1)18-13(9-19-12)16-17-14(18)10-5-7-15-8-6-10/h1-8H,9H2
InChIKeyNSEMDSCYNBGKSP-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.93
Rot. Bonds1

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

1-pyridin-4-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine (PubChem CID 2816684) has the molecular formula C14H10N4S and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-pyridin-4-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine.

Molecular Properties

Compound Name1-pyridin-4-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
PubChem CID2816684
Molecular FormulaC14H10N4S
Molecular Weight266.33 g/mol
Exact Mass266.06
IUPAC Name1-pyridin-4-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
SMILESc1ccc2c(c1)SCc1nnc(-c3ccncc3)n1-2
InChIInChI=1S/C14H10N4S/c1-2-4-12-11(3-1)18-13(9-19-12)16-17-14(18)10-5-7-15-8-6-10/h1-8H,9H2
InChIKeyNSEMDSCYNBGKSP-UHFFFAOYSA-N
XLogP2.93
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-Fluorophenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190719
4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 1-phenyl-
CID 2816686
6-((3-Fluorobenzyl)thio)-3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190718
7-[5-(Benzenesulfonyl)-3-pyridinyl]-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
CID 66576769
2-[(4-Methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine
CID 644679
4-(5-Thiophen-2-yl-4-p-tolyl-4H-[1,2,4]triazol-3-yl)-pyridine
CID 654415
1-Phenothiazin-10-yl-2-(5-pyridin-4-yl-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
CID 1735482
6-Benzylsulfanyl-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 6623953
6-[(3-Fluorophenyl)methylsulfanyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190527
6-[(3-Methylphenyl)methylsulfanyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190540
6-[(4-Fluorophenyl)methylsulfanyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190530
6-[(4-Methylphenyl)methylsulfanyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190550

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The IUPAC name of 1-pyridin-4-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine (CID 2816684) is 1-pyridin-4-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine.
What is the SMILES notation for 1-pyridin-4-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The canonical SMILES for 1-pyridin-4-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine is c1ccc2c(c1)SCc1nnc(-c3ccncc3)n1-2.
What is the InChIKey of 1-pyridin-4-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The InChIKey is NSEMDSCYNBGKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S/c1-2-4-12-11(3-1)18-13(9-19-12)16-17-14(18)10-5-7-15-8-6-10/h1-8H,9H2.
What are the key properties of 1-pyridin-4-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
1-pyridin-4-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine has a molecular weight of 266.33 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine is sourced from PubChem (CID 2816684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).