6-phenyl-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C15H11N5S — CID 662914

IUPAC6-phenyl-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESc1ccc(C2=Nn3c(nnc3-c3ccncc3)SC2)cc1
InChIInChI=1S/C15H11N5S/c1-2-4-11(5-3-1)13-10-21-15-18-17-14(20(15)19-13)12-6-8-16-9-7-12/h1-9H,10H2
InChIKeyIRYVSWYPAKNUCY-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.70
Rot. Bonds2

About 6-phenyl-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

6-phenyl-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 662914) has the molecular formula C15H11N5S and a molecular weight of 293.36 g/mol. Its IUPAC name is 6-phenyl-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-phenyl-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID662914
Molecular FormulaC15H11N5S
Molecular Weight293.36 g/mol
Exact Mass293.07
IUPAC Name6-phenyl-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESc1ccc(C2=Nn3c(nnc3-c3ccncc3)SC2)cc1
InChIInChI=1S/C15H11N5S/c1-2-4-11(5-3-1)13-10-21-15-18-17-14(20(15)19-13)12-6-8-16-9-7-12/h1-9H,10H2
InChIKeyIRYVSWYPAKNUCY-UHFFFAOYSA-N
XLogP2.70
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-Methyl-5-((2-methylbenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
CID 937411
2-(Benzylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 14155083
4-(5-(Benzylthio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-YL)pyridine
CID 1410239
4-(4-Ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
CID 931757
3-((4-Fluorobenzyl)thio)-5-(2-pyridinyl)-4H-1,2,4-triazol-4-ylamine
CID 936370
4-(5-((4-Fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-YL)pyridine
CID 937714
N-(4-methylphenyl)-5-[(pyridin-2-ylmethyl)sulfanyl]-4H-1,2,4-triazol-3-amine
CID 9817701
6-(2-chlorophenyl)-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 665851
(4-Benzyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
CID 645584
6-(3,4-dichlorophenyl)-3-(pyridin-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 3796877
Pyridine, 4-(3-allylthio-5-(4H-1,2,4-triazolyl))-
CID 199043
Pyridine, 4-(3-(methylthio)-5(4H)-1,2,4-triazol-5-yl)-
CID 199148

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-phenyl-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 662914) is 6-phenyl-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-phenyl-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-phenyl-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is c1ccc(C2=Nn3c(nnc3-c3ccncc3)SC2)cc1.
What is the InChIKey of 6-phenyl-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is IRYVSWYPAKNUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5S/c1-2-4-11(5-3-1)13-10-21-15-18-17-14(20(15)19-13)12-6-8-16-9-7-12/h1-9H,10H2.
What are the key properties of 6-phenyl-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-phenyl-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 293.36 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 662914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).