4-[[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]morpholine

C16H23N7O3S — CID 154581408

IUPAC4-[[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]morpholine
SMILESCc1nnc2ccc(N3CC4CN(S(=O)(=O)N5CCOCC5)CC4C3)nn12
InChIInChI=1S/C16H23N7O3S/c1-12-17-18-15-2-3-16(19-23(12)15)20-8-13-10-22(11-14(13)9-20)27(24,25)21-4-6-26-7-5-21/h2-3,13-14H,4-11H2,1H3
InChIKeySDJWFMCHDWPSLB-UHFFFAOYSA-N
MW393.47 g/mol
LogP-0.62
Rot. Bonds3

About 4-[[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]morpholine

4-[[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]morpholine (PubChem CID 154581408) has the molecular formula C16H23N7O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-[[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]morpholine
PubChem CID154581408
Molecular FormulaC16H23N7O3S
Molecular Weight393.47 g/mol
Exact Mass393.16
IUPAC Name4-[[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]morpholine
SMILESCc1nnc2ccc(N3CC4CN(S(=O)(=O)N5CCOCC5)CC4C3)nn12
InChIInChI=1S/C16H23N7O3S/c1-12-17-18-15-2-3-16(19-23(12)15)20-8-13-10-22(11-14(13)9-20)27(24,25)21-4-6-26-7-5-21/h2-3,13-14H,4-11H2,1H3
InChIKeySDJWFMCHDWPSLB-UHFFFAOYSA-N
XLogP-0.62
TPSA96.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]morpholine with MolForge

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Related Compounds

3-methyl-6-[5-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 154581507
3-methyl-6-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 97253244
4-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonylmorpholine
CID 126912342
4-[2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 146074635
(2-methylsulfonylphenyl)-[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 154854172
4-[[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]morpholine
CID 126858195
3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 869579
N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclopropanesulfonamide
CID 146074495
3-ethyl-6-(5-methylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 155976789
1-methyl-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-3-(oxan-4-yl)urea
CID 126921122
4,4,4-trifluoro-1-[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]butan-1-one
CID 154883649
2-(2-bromophenyl)-1-[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone
CID 154883789

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]morpholine?
The IUPAC name of 4-[[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]morpholine (CID 154581408) is 4-[[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]morpholine?
The canonical SMILES for 4-[[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]morpholine is Cc1nnc2ccc(N3CC4CN(S(=O)(=O)N5CCOCC5)CC4C3)nn12.
What is the InChIKey of 4-[[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]morpholine?
The InChIKey is SDJWFMCHDWPSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O3S/c1-12-17-18-15-2-3-16(19-23(12)15)20-8-13-10-22(11-14(13)9-20)27(24,25)21-4-6-26-7-5-21/h2-3,13-14H,4-11H2,1H3.
What are the key properties of 4-[[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]morpholine?
4-[[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]morpholine has a molecular weight of 393.47 g/mol, XLogP of -0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]morpholine is sourced from PubChem (CID 154581408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).