6-(4-phenylpiperidin-1-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine

C20H19N5S — CID 133489197

IUPAC6-(4-phenylpiperidin-1-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1ccc(C2CCN(c3ccc4nnc(-c5ccsc5)n4n3)CC2)cc1
InChIInChI=1S/C20H19N5S/c1-2-4-15(5-3-1)16-8-11-24(12-9-16)19-7-6-18-21-22-20(25(18)23-19)17-10-13-26-14-17/h1-7,10,13-14,16H,8-9,11-12H2
InChIKeySQKPQDVWTNYHKZ-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.24
Rot. Bonds3

About 6-(4-phenylpiperidin-1-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine

6-(4-phenylpiperidin-1-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 133489197) has the molecular formula C20H19N5S and a molecular weight of 361.47 g/mol. Its IUPAC name is 6-(4-phenylpiperidin-1-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(4-phenylpiperidin-1-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID133489197
Molecular FormulaC20H19N5S
Molecular Weight361.47 g/mol
Exact Mass361.14
IUPAC Name6-(4-phenylpiperidin-1-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1ccc(C2CCN(c3ccc4nnc(-c5ccsc5)n4n3)CC2)cc1
InChIInChI=1S/C20H19N5S/c1-2-4-15(5-3-1)16-8-11-24(12-9-16)19-7-6-18-21-22-20(25(18)23-19)17-10-13-26-14-17/h1-7,10,13-14,16H,8-9,11-12H2
InChIKeySQKPQDVWTNYHKZ-UHFFFAOYSA-N
XLogP4.24
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133491986
N-benzyl-2-[4-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 133489045
3-thiophen-3-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133488152
6-[4-(4-nitrophenyl)piperazin-1-yl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133488193
6-(2,3-dimethylpyrrolidin-1-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133492501
2-phenyl-6-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine
CID 133492328
6-[3-(oxolan-3-yl)piperidin-1-yl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 166223076
N-(2-ethylphenyl)-2-[4-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 133488529
2-(4-chlorophenoxy)-1-[4-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone
CID 138008223
2-(4-fluorophenoxy)-1-[4-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone
CID 154753103
[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 47060299
4-(4-phenylpiperidin-1-yl)-1,3-thiazole
CID 175743115

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylpiperidin-1-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(4-phenylpiperidin-1-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 133489197) is 6-(4-phenylpiperidin-1-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(4-phenylpiperidin-1-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(4-phenylpiperidin-1-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine is c1ccc(C2CCN(c3ccc4nnc(-c5ccsc5)n4n3)CC2)cc1.
What is the InChIKey of 6-(4-phenylpiperidin-1-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is SQKPQDVWTNYHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5S/c1-2-4-15(5-3-1)16-8-11-24(12-9-16)19-7-6-18-21-22-20(25(18)23-19)17-10-13-26-14-17/h1-7,10,13-14,16H,8-9,11-12H2.
What are the key properties of 6-(4-phenylpiperidin-1-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
6-(4-phenylpiperidin-1-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 361.47 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylpiperidin-1-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 133489197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).