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

C17H21N7O — CID 126912705

IUPAC4-[[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-1,3-oxazole
SMILESc1nc(CN2CCC(c3nnc4ccc(N5CCC5)nn34)CC2)co1
InChIInChI=1S/C17H21N7O/c1-6-23(7-1)16-3-2-15-19-20-17(24(15)21-16)13-4-8-22(9-5-13)10-14-11-25-12-18-14/h2-3,11-13H,1,4-10H2
InChIKeyMGDIPOJOPHISKG-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.70
Rot. Bonds4

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

4-[[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 126912705) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID126912705
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name4-[[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-1,3-oxazole
SMILESc1nc(CN2CCC(c3nnc4ccc(N5CCC5)nn34)CC2)co1
InChIInChI=1S/C17H21N7O/c1-6-23(7-1)16-3-2-15-19-20-17(24(15)21-16)13-4-8-22(9-5-13)10-14-11-25-12-18-14/h2-3,11-13H,1,4-10H2
InChIKeyMGDIPOJOPHISKG-UHFFFAOYSA-N
XLogP1.70
TPSA75.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 126911668
3-[1-(oxan-4-ylmethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912510
3-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912372
4-[[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 126912689
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
3-cyclopropyl-6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 136523293
3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 126912604
3-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 53016958
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-cyclopropyl-3-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911067
4-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonylmorpholine
CID 126912342

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 4-[[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-1,3-oxazole (CID 126912705) is 4-[[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 4-[[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 4-[[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-1,3-oxazole is c1nc(CN2CCC(c3nnc4ccc(N5CCC5)nn34)CC2)co1.
What is the InChIKey of 4-[[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is MGDIPOJOPHISKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-6-23(7-1)16-3-2-15-19-20-17(24(15)21-16)13-4-8-22(9-5-13)10-14-11-25-12-18-14/h2-3,11-13H,1,4-10H2.
What are the key properties of 4-[[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-1,3-oxazole?
4-[[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 339.40 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 126912705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).