6-(5-methylpyrazolidin-3-yl)-3-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C18H24N8S — CID 75263426

IUPAC6-(5-methylpyrazolidin-3-yl)-3-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC1CC(c2nn3c(CN4CCN(c5ccccc5)CC4)nnc3s2)NN1
InChIInChI=1S/C18H24N8S/c1-13-11-15(20-19-13)17-23-26-16(21-22-18(26)27-17)12-24-7-9-25(10-8-24)14-5-3-2-4-6-14/h2-6,13,15,19-20H,7-12H2,1H3
InChIKeyBFSFZCYCAHMHOE-UHFFFAOYSA-N
MW384.51 g/mol
LogP1.44
Rot. Bonds4

About 6-(5-methylpyrazolidin-3-yl)-3-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(5-methylpyrazolidin-3-yl)-3-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 75263426) has the molecular formula C18H24N8S and a molecular weight of 384.51 g/mol. Its IUPAC name is 6-(5-methylpyrazolidin-3-yl)-3-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(5-methylpyrazolidin-3-yl)-3-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID75263426
Molecular FormulaC18H24N8S
Molecular Weight384.51 g/mol
Exact Mass384.18
IUPAC Name6-(5-methylpyrazolidin-3-yl)-3-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC1CC(c2nn3c(CN4CCN(c5ccccc5)CC4)nnc3s2)NN1
InChIInChI=1S/C18H24N8S/c1-13-11-15(20-19-13)17-23-26-16(21-22-18(26)27-17)12-24-7-9-25(10-8-24)14-5-3-2-4-6-14/h2-6,13,15,19-20H,7-12H2,1H3
InChIKeyBFSFZCYCAHMHOE-UHFFFAOYSA-N
XLogP1.44
TPSA73.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

3-[(4-phenylpiperazin-1-yl)methyl]-6-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 47001174
4-[[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]morpholine
CID 45492546
6-(2-chlorophenyl)-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 44615630
3-(azepan-1-ylmethyl)-6-[(1R)-1-phenoxyethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 95182742
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione
CID 55430242
1-phenyl-4-[(1-phenylimidazol-2-yl)methyl]piperazine
CID 141118579
3-phenyl-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114353243
4-[[6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]morpholine
CID 135656929
6-naphthalen-2-yl-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 44615645
6-cyclohexyl-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 850485
1-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]thiadiazolo[4,5-a]benzimidazole
CID 23303057
1-[[4-(fluoromethyl)phenyl]methyl]-4-phenylpiperazine
CID 11859050

Frequently Asked Questions

What is the IUPAC name of 6-(5-methylpyrazolidin-3-yl)-3-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(5-methylpyrazolidin-3-yl)-3-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 75263426) is 6-(5-methylpyrazolidin-3-yl)-3-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(5-methylpyrazolidin-3-yl)-3-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(5-methylpyrazolidin-3-yl)-3-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CC1CC(c2nn3c(CN4CCN(c5ccccc5)CC4)nnc3s2)NN1.
What is the InChIKey of 6-(5-methylpyrazolidin-3-yl)-3-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is BFSFZCYCAHMHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8S/c1-13-11-15(20-19-13)17-23-26-16(21-22-18(26)27-17)12-24-7-9-25(10-8-24)14-5-3-2-4-6-14/h2-6,13,15,19-20H,7-12H2,1H3.
What are the key properties of 6-(5-methylpyrazolidin-3-yl)-3-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(5-methylpyrazolidin-3-yl)-3-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 384.51 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylpyrazolidin-3-yl)-3-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 75263426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).