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

C15H19N7O — CID 126910227

IUPAC3-methyl-4-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2,5-oxadiazole
SMILESCc1ccc2nnc(C3CCN(Cc4nonc4C)CC3)n2n1
InChIInChI=1S/C15H19N7O/c1-10-3-4-14-16-17-15(22(14)18-10)12-5-7-21(8-6-12)9-13-11(2)19-23-20-13/h3-4,12H,5-9H2,1-2H3
InChIKeyXLPSFORJPORXMR-UHFFFAOYSA-N
MW313.37 g/mol
LogP1.50
Rot. Bonds3

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

3-methyl-4-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2,5-oxadiazole (PubChem CID 126910227) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 3-methyl-4-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-methyl-4-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2,5-oxadiazole
PubChem CID126910227
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name3-methyl-4-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2,5-oxadiazole
SMILESCc1ccc2nnc(C3CCN(Cc4nonc4C)CC3)n2n1
InChIInChI=1S/C15H19N7O/c1-10-3-4-14-16-17-15(22(14)18-10)12-5-7-21(8-6-12)9-13-11(2)19-23-20-13/h3-4,12H,5-9H2,1-2H3
InChIKeyXLPSFORJPORXMR-UHFFFAOYSA-N
XLogP1.50
TPSA85.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 126910270
3-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910111
[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexyl]methanamine
CID 79525077
6-methyl-3-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-4-one
CID 126910207
[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 126910021
3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 126911694
N,N-dimethyl-3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912143
3-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2,5-oxadiazole
CID 126911048
1-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-2-one
CID 126910208
4-methyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole
CID 126910391
3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 126911690
1-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 126910018

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2,5-oxadiazole?
The IUPAC name of 3-methyl-4-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2,5-oxadiazole (CID 126910227) is 3-methyl-4-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-methyl-4-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2,5-oxadiazole?
The canonical SMILES for 3-methyl-4-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2,5-oxadiazole is Cc1ccc2nnc(C3CCN(Cc4nonc4C)CC3)n2n1.
What is the InChIKey of 3-methyl-4-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2,5-oxadiazole?
The InChIKey is XLPSFORJPORXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-10-3-4-14-16-17-15(22(14)18-10)12-5-7-21(8-6-12)9-13-11(2)19-23-20-13/h3-4,12H,5-9H2,1-2H3.
What are the key properties of 3-methyl-4-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2,5-oxadiazole?
3-methyl-4-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2,5-oxadiazole has a molecular weight of 313.37 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2,5-oxadiazole is sourced from PubChem (CID 126910227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).