3-(1-methylpyrazol-3-yl)-5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole

C16H17N9O — CID 154867126

IUPAC3-(1-methylpyrazol-3-yl)-5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCn1ccc(-c2noc(C3CCN(c4ccc5nncn5n4)CC3)n2)n1
InChIInChI=1S/C16H17N9O/c1-23-7-6-12(20-23)15-18-16(26-22-15)11-4-8-24(9-5-11)14-3-2-13-19-17-10-25(13)21-14/h2-3,6-7,10-11H,4-5,8-9H2,1H3
InChIKeyMNRJTECREVTMRT-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.29
Rot. Bonds3

About 3-(1-methylpyrazol-3-yl)-5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole

3-(1-methylpyrazol-3-yl)-5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 154867126) has the molecular formula C16H17N9O and a molecular weight of 351.37 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)-5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylpyrazol-3-yl)-5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole
PubChem CID154867126
Molecular FormulaC16H17N9O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC Name3-(1-methylpyrazol-3-yl)-5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCn1ccc(-c2noc(C3CCN(c4ccc5nncn5n4)CC3)n2)n1
InChIInChI=1S/C16H17N9O/c1-23-7-6-12(20-23)15-18-16(26-22-15)11-4-8-24(9-5-11)14-3-2-13-19-17-10-25(13)21-14/h2-3,6-7,10-11H,4-5,8-9H2,1H3
InChIKeyMNRJTECREVTMRT-UHFFFAOYSA-N
XLogP1.29
TPSA103.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861098
3-(4-methylquinolin-2-yl)-5-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 167874479
2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 65198281
6-methoxy-3-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911521
3-(1-methylpyrazol-3-yl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 79371093
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 139023196
6-(3-pyrazol-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126946427
6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 121185358
N-[[(2R)-oxolan-2-yl]methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29131621
2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]propanamide
CID 163348995
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 102894678
5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 65197715

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-3-yl)-5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylpyrazol-3-yl)-5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole (CID 154867126) is 3-(1-methylpyrazol-3-yl)-5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylpyrazol-3-yl)-5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylpyrazol-3-yl)-5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole is Cn1ccc(-c2noc(C3CCN(c4ccc5nncn5n4)CC3)n2)n1.
What is the InChIKey of 3-(1-methylpyrazol-3-yl)-5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is MNRJTECREVTMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N9O/c1-23-7-6-12(20-23)15-18-16(26-22-15)11-4-8-24(9-5-11)14-3-2-13-19-17-10-25(13)21-14/h2-3,6-7,10-11H,4-5,8-9H2,1H3.
What are the key properties of 3-(1-methylpyrazol-3-yl)-5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole?
3-(1-methylpyrazol-3-yl)-5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 351.37 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-3-yl)-5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 154867126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).