6-(4-benzylpiperidin-1-yl)-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)pyridazine-3-carboxamide

C22H23N7OS — CID 121028581

IUPAC6-(4-benzylpiperidin-1-yl)-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1csc2ncnn12)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C22H23N7OS/c30-21(23-13-18-14-31-22-24-15-25-29(18)22)19-6-7-20(27-26-19)28-10-8-17(9-11-28)12-16-4-2-1-3-5-16/h1-7,14-15,17H,8-13H2,(H,23,30)
InChIKeyRHGLLZDZGDZNMD-UHFFFAOYSA-N
MW433.54 g/mol
LogP2.97
Rot. Bonds6

About 6-(4-benzylpiperidin-1-yl)-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)pyridazine-3-carboxamide

6-(4-benzylpiperidin-1-yl)-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)pyridazine-3-carboxamide (PubChem CID 121028581) has the molecular formula C22H23N7OS and a molecular weight of 433.54 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)pyridazine-3-carboxamide
PubChem CID121028581
Molecular FormulaC22H23N7OS
Molecular Weight433.54 g/mol
Exact Mass433.17
IUPAC Name6-(4-benzylpiperidin-1-yl)-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1csc2ncnn12)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C22H23N7OS/c30-21(23-13-18-14-31-22-24-15-25-29(18)22)19-6-7-20(27-26-19)28-10-8-17(9-11-28)12-16-4-2-1-3-5-16/h1-7,14-15,17H,8-13H2,(H,23,30)
InChIKeyRHGLLZDZGDZNMD-UHFFFAOYSA-N
XLogP2.97
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 121028384
6-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 71778620
6-(4-benzylpiperidin-1-yl)-N-pyrimidin-2-ylpyridazine-3-carboxamide
CID 121028453
6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide
CID 121028303
6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide
CID 121028359
N-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109346670
6-(4-benzylpiperidin-1-yl)-N-naphthalen-1-ylpyridazine-3-carboxamide
CID 121028392
6-(4-benzylpiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyridazine-3-carboxamide
CID 71778645
6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide
CID 109117077
6-(4-benzylpiperidin-1-yl)-N-quinolin-5-ylpyridazine-3-carboxamide
CID 121028559
6-(4-benzylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 1448003
6-(4-benzylpiperidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)pyridazine-3-carboxamide (CID 121028581) is 6-(4-benzylpiperidin-1-yl)-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)pyridazine-3-carboxamide is O=C(NCc1csc2ncnn12)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is RHGLLZDZGDZNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7OS/c30-21(23-13-18-14-31-22-24-15-25-29(18)22)19-6-7-20(27-26-19)28-10-8-17(9-11-28)12-16-4-2-1-3-5-16/h1-7,14-15,17H,8-13H2,(H,23,30).
What are the key properties of 6-(4-benzylpiperidin-1-yl)-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)pyridazine-3-carboxamide?
6-(4-benzylpiperidin-1-yl)-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 433.54 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 121028581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).