6-[(Z)-2-phenylethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C16H11N5S — CID 92858141

IUPAC6-[(Z)-2-phenylethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESC(=C\c1nn2c(-c3ccncc3)nnc2s1)\c1ccccc1
InChIInChI=1S/C16H11N5S/c1-2-4-12(5-3-1)6-7-14-20-21-15(18-19-16(21)22-14)13-8-10-17-11-9-13/h1-11H/b7-6-
InChIKeyBKZWXNMPYFZVIQ-SREVYHEPSA-N
MW305.37 g/mol
LogP3.42
Rot. Bonds3

About 6-[(Z)-2-phenylethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-[(Z)-2-phenylethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 92858141) has the molecular formula C16H11N5S and a molecular weight of 305.37 g/mol. Its IUPAC name is 6-[(Z)-2-phenylethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-[(Z)-2-phenylethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID92858141
Molecular FormulaC16H11N5S
Molecular Weight305.37 g/mol
Exact Mass305.07
IUPAC Name6-[(Z)-2-phenylethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESC(=C\c1nn2c(-c3ccncc3)nnc2s1)\c1ccccc1
InChIInChI=1S/C16H11N5S/c1-2-4-12(5-3-1)6-7-14-20-21-15(18-19-16(21)22-14)13-8-10-17-11-9-13/h1-11H/b7-6-
InChIKeyBKZWXNMPYFZVIQ-SREVYHEPSA-N
XLogP3.42
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(Z)-2-phenylethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole with MolForge

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Related Compounds

6-[(E)-2-(4-fluorophenyl)ethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 5311811
6-[(E)-2-(4-chlorophenyl)ethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 6229201
6-[2-(3-chlorophenyl)ethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 4913608
3-(3-fluorophenyl)-6-(2-phenylethenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71966491
6-[(Z)-2-phenylethenyl]-3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 98361777
6-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 5311819
3-(4-chlorophenyl)-6-[(E)-2-(4-fluorophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42581709
3-(1-benzofuran-2-yl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 86206649
3-(4-bromophenyl)-6-[(E)-2-(3-chlorophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 18871213
3-(1-methylpyrazol-4-yl)-6-(2-pyridin-3-ylethenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71829722
3-(4-tert-butylphenyl)-6-[2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71947049
3-(methoxymethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 6471727

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-phenylethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-[(Z)-2-phenylethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 92858141) is 6-[(Z)-2-phenylethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-[(Z)-2-phenylethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-[(Z)-2-phenylethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C(=C\c1nn2c(-c3ccncc3)nnc2s1)\c1ccccc1.
What is the InChIKey of 6-[(Z)-2-phenylethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is BKZWXNMPYFZVIQ-SREVYHEPSA-N. The full InChI is InChI=1S/C16H11N5S/c1-2-4-12(5-3-1)6-7-14-20-21-15(18-19-16(21)22-14)13-8-10-17-11-9-13/h1-11H/b7-6-.
What are the key properties of 6-[(Z)-2-phenylethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-[(Z)-2-phenylethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 305.37 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-phenylethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 92858141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).