6-phenyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

C21H14N8S — CID 108772260

IUPAC6-phenyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESc1ccc(-c2csc3nc(Nc4ncnc5c4cnn5-c4ccccc4)nn23)cc1
InChIInChI=1S/C21H14N8S/c1-3-7-14(8-4-1)17-12-30-21-26-20(27-29(17)21)25-18-16-11-24-28(19(16)23-13-22-18)15-9-5-2-6-10-15/h1-13H,(H,22,23,25,27)
InChIKeyXRAIGEZNQLIVLS-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.33
Rot. Bonds4

About 6-phenyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

6-phenyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (PubChem CID 108772260) has the molecular formula C21H14N8S and a molecular weight of 410.47 g/mol. Its IUPAC name is 6-phenyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.

Molecular Properties

Compound Name6-phenyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
PubChem CID108772260
Molecular FormulaC21H14N8S
Molecular Weight410.47 g/mol
Exact Mass410.11
IUPAC Name6-phenyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESc1ccc(-c2csc3nc(Nc4ncnc5c4cnn5-c4ccccc4)nn23)cc1
InChIInChI=1S/C21H14N8S/c1-3-7-14(8-4-1)17-12-30-21-26-20(27-29(17)21)25-18-16-11-24-28(19(16)23-13-22-18)15-9-5-2-6-10-15/h1-13H,(H,22,23,25,27)
InChIKeyXRAIGEZNQLIVLS-UHFFFAOYSA-N
XLogP4.33
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-(chloromethyl)-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-thiazol-2-amine
CID 108778534
N-methyl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 116829136
N-(4-iodophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 1390944
N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772214
ethyl 2-methyl-4-[(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]pyrimidine-5-carboxylate
CID 108772217
2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43235572
N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133292475
N-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 875439
N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 993401
N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43215057
1-(4-methoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 1069951

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The IUPAC name of 6-phenyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (CID 108772260) is 6-phenyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.
What is the SMILES notation for 6-phenyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The canonical SMILES for 6-phenyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is c1ccc(-c2csc3nc(Nc4ncnc5c4cnn5-c4ccccc4)nn23)cc1.
What is the InChIKey of 6-phenyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The InChIKey is XRAIGEZNQLIVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N8S/c1-3-7-14(8-4-1)17-12-30-21-26-20(27-29(17)21)25-18-16-11-24-28(19(16)23-13-22-18)15-9-5-2-6-10-15/h1-13H,(H,22,23,25,27).
What are the key properties of 6-phenyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
6-phenyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine has a molecular weight of 410.47 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is sourced from PubChem (CID 108772260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).