3-[[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole

C16H19N7O3S — CID 133326211

IUPAC3-[[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
SMILESO=S(=O)(Cc1ccon1)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1
InChIInChI=1S/C16H19N7O3S/c24-27(25,11-13-5-10-26-20-13)22-8-6-21(7-9-22)15-4-3-14-17-18-16(12-1-2-12)23(14)19-15/h3-5,10,12H,1-2,6-9,11H2
InChIKeyVJYWXLSQNFUQOL-UHFFFAOYSA-N
MW389.44 g/mol
LogP0.64
Rot. Bonds5

About 3-[[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole

3-[[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole (PubChem CID 133326211) has the molecular formula C16H19N7O3S and a molecular weight of 389.44 g/mol. Its IUPAC name is 3-[[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
PubChem CID133326211
Molecular FormulaC16H19N7O3S
Molecular Weight389.44 g/mol
Exact Mass389.13
IUPAC Name3-[[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
SMILESO=S(=O)(Cc1ccon1)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1
InChIInChI=1S/C16H19N7O3S/c24-27(25,11-13-5-10-26-20-13)22-8-6-21(7-9-22)15-4-3-14-17-18-16(12-1-2-12)23(14)19-15/h3-5,10,12H,1-2,6-9,11H2
InChIKeyVJYWXLSQNFUQOL-UHFFFAOYSA-N
XLogP0.64
TPSA109.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole 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-[(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)sulfonylmethyl]-1,2-oxazole
CID 133326237
4-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonylmorpholine
CID 126912342
3-[(4-pyridin-4-ylazepan-1-yl)sulfonylmethyl]-1,2-oxazole
CID 154769766
3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 126912726
N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide
CID 126921588
2-[4-(1,2-oxazol-3-ylmethylsulfonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119186920
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
3-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 99836914
2-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3,4-dihydro-1H-isoquinoline
CID 163344367
3-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 53016958
3-cyclopropyl-6-[2-(fluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 166183359
3-[[4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 71988746

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The IUPAC name of 3-[[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole (CID 133326211) is 3-[[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole.
What is the SMILES notation for 3-[[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The canonical SMILES for 3-[[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole is O=S(=O)(Cc1ccon1)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1.
What is the InChIKey of 3-[[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The InChIKey is VJYWXLSQNFUQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O3S/c24-27(25,11-13-5-10-26-20-13)22-8-6-21(7-9-22)15-4-3-14-17-18-16(12-1-2-12)23(14)19-15/h3-5,10,12H,1-2,6-9,11H2.
What are the key properties of 3-[[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
3-[[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole has a molecular weight of 389.44 g/mol, XLogP of 0.64, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole is sourced from PubChem (CID 133326211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).