(3S,5S)-5-methyl-3-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]oxolan-2-one

C15H20N6O2 — CID 95601939

IUPAC(3S,5S)-5-methyl-3-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]oxolan-2-one
SMILESCc1nnc2ccc(N3CCN([C@H]4C[C@H](C)OC4=O)CC3)nn12
InChIInChI=1S/C15H20N6O2/c1-10-9-12(15(22)23-10)19-5-7-20(8-6-19)14-4-3-13-17-16-11(2)21(13)18-14/h3-4,10,12H,5-9H2,1-2H3/t10-,12-/m0/s1
InChIKeyOLEQIGRMHQVMRX-JQWIXIFHSA-N
MW316.37 g/mol
LogP0.26
Rot. Bonds2

About (3S,5S)-5-methyl-3-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]oxolan-2-one

(3S,5S)-5-methyl-3-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]oxolan-2-one (PubChem CID 95601939) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is (3S,5S)-5-methyl-3-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-5-methyl-3-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]oxolan-2-one
PubChem CID95601939
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name(3S,5S)-5-methyl-3-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]oxolan-2-one
SMILESCc1nnc2ccc(N3CCN([C@H]4C[C@H](C)OC4=O)CC3)nn12
InChIInChI=1S/C15H20N6O2/c1-10-9-12(15(22)23-10)19-5-7-20(8-6-19)14-4-3-13-17-16-11(2)21(13)18-14/h3-4,10,12H,5-9H2,1-2H3/t10-,12-/m0/s1
InChIKeyOLEQIGRMHQVMRX-JQWIXIFHSA-N
XLogP0.26
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3S,5S)-5-methyl-3-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]oxolan-2-one 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

3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 869579
3-methyl-6-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 97253244
3-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 5308432
N-[(1S)-1-cyclopropylethyl]-2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 95347251
3-methyl-6-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 155975191
3-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 60520649
6-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 20880723
6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 42111553
(3R,5R)-3-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-5-methyloxolan-2-one
CID 94178004
3-methyl-6-[4-(oxan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 56778614
N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclopropanesulfonamide
CID 146074495
[(1S,2R)-2-aminocyclopentyl]-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
CID 124696197

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-methyl-3-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]oxolan-2-one?
The IUPAC name of (3S,5S)-5-methyl-3-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]oxolan-2-one (CID 95601939) is (3S,5S)-5-methyl-3-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]oxolan-2-one.
What is the SMILES notation for (3S,5S)-5-methyl-3-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]oxolan-2-one?
The canonical SMILES for (3S,5S)-5-methyl-3-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]oxolan-2-one is Cc1nnc2ccc(N3CCN([C@H]4C[C@H](C)OC4=O)CC3)nn12.
What is the InChIKey of (3S,5S)-5-methyl-3-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]oxolan-2-one?
The InChIKey is OLEQIGRMHQVMRX-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-10-9-12(15(22)23-10)19-5-7-20(8-6-19)14-4-3-13-17-16-11(2)21(13)18-14/h3-4,10,12H,5-9H2,1-2H3/t10-,12-/m0/s1.
What are the key properties of (3S,5S)-5-methyl-3-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]oxolan-2-one?
(3S,5S)-5-methyl-3-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]oxolan-2-one has a molecular weight of 316.37 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-methyl-3-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]oxolan-2-one is sourced from PubChem (CID 95601939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).