2-methyl-5-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole

C17H22N8S — CID 126912392

IUPAC2-methyl-5-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1nnc(N2CCC(c3nnc4ccc(N5CCCC5)nn34)CC2)s1
InChIInChI=1S/C17H22N8S/c1-12-18-21-17(26-12)24-10-6-13(7-11-24)16-20-19-14-4-5-15(22-25(14)16)23-8-2-3-9-23/h4-5,13H,2-3,6-11H2,1H3
InChIKeyFYSLGSCCSSSJNR-UHFFFAOYSA-N
MW370.49 g/mol
LogP2.27
Rot. Bonds3

About 2-methyl-5-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole

2-methyl-5-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole (PubChem CID 126912392) has the molecular formula C17H22N8S and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-methyl-5-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole
PubChem CID126912392
Molecular FormulaC17H22N8S
Molecular Weight370.49 g/mol
Exact Mass370.17
IUPAC Name2-methyl-5-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1nnc(N2CCC(c3nnc4ccc(N5CCCC5)nn34)CC2)s1
InChIInChI=1S/C17H22N8S/c1-12-18-21-17(26-12)24-10-6-13(7-11-24)16-20-19-14-4-5-15(22-25(14)16)23-8-2-3-9-23/h4-5,13H,2-3,6-11H2,1H3
InChIKeyFYSLGSCCSSSJNR-UHFFFAOYSA-N
XLogP2.27
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-methyl-5-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole with MolForge

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Related Compounds

2-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-4,5-dimethyl-1,3-thiazole
CID 126912785
3-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912401
2-methyl-6-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyridazin-3-one
CID 126912553
6-(azetidin-1-yl)-3-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912755
3-(1-cyclopentylpiperidin-4-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912364
4-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]oxolan-3-ol
CID 126912541
3-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912372
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 126922204
6-pyrrolidin-1-yl-3-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912397
1-methyl-3-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one
CID 126912387
3-methyl-6-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione
CID 126912399
3-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 53016958

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole (CID 126912392) is 2-methyl-5-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole is Cc1nnc(N2CCC(c3nnc4ccc(N5CCCC5)nn34)CC2)s1.
What is the InChIKey of 2-methyl-5-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is FYSLGSCCSSSJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8S/c1-12-18-21-17(26-12)24-10-6-13(7-11-24)16-20-19-14-4-5-15(22-25(14)16)23-8-2-3-9-23/h4-5,13H,2-3,6-11H2,1H3.
What are the key properties of 2-methyl-5-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole?
2-methyl-5-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 370.49 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 126912392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).