(4-cyclopropylsulfonylpiperazin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanone

C14H18N6O3S — CID 146079211

IUPAC(4-cyclopropylsulfonylpiperazin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanone
SMILESCc1nnc2ccc(C(=O)N3CCN(S(=O)(=O)C4CC4)CC3)nn12
InChIInChI=1S/C14H18N6O3S/c1-10-15-16-13-5-4-12(17-20(10)13)14(21)18-6-8-19(9-7-18)24(22,23)11-2-3-11/h4-5,11H,2-3,6-9H2,1H3
InChIKeyHLNLXEQRSDYPFX-UHFFFAOYSA-N
MW350.40 g/mol
LogP-0.32
Rot. Bonds3

About (4-cyclopropylsulfonylpiperazin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanone

(4-cyclopropylsulfonylpiperazin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanone (PubChem CID 146079211) has the molecular formula C14H18N6O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is (4-cyclopropylsulfonylpiperazin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanone.

Molecular Properties

Compound Name(4-cyclopropylsulfonylpiperazin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanone
PubChem CID146079211
Molecular FormulaC14H18N6O3S
Molecular Weight350.40 g/mol
Exact Mass350.12
IUPAC Name(4-cyclopropylsulfonylpiperazin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanone
SMILESCc1nnc2ccc(C(=O)N3CCN(S(=O)(=O)C4CC4)CC3)nn12
InChIInChI=1S/C14H18N6O3S/c1-10-15-16-13-5-4-12(17-20(10)13)14(21)18-6-8-19(9-7-18)24(22,23)11-2-3-11/h4-5,11H,2-3,6-9H2,1H3
InChIKeyHLNLXEQRSDYPFX-UHFFFAOYSA-N
XLogP-0.32
TPSA100.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclopropanesulfonamide
CID 146074495
1-[2-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]ethanone
CID 154580429
(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
[6-(methylamino)pyridazin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 62992096
(3-fluorophenyl)-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
CID 20878041
(4-fluorophenyl)-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone
CID 134801416
(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 154583892
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
(6-chloropyridazin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 61042497
(4-cyclohexylsulfonylpiperazin-1-yl)-(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)methanone
CID 56848415
[(1S,2R)-2-aminocyclopentyl]-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
CID 124696197
3-methyl-6-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 97253244

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylsulfonylpiperazin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanone?
The IUPAC name of (4-cyclopropylsulfonylpiperazin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanone (CID 146079211) is (4-cyclopropylsulfonylpiperazin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanone.
What is the SMILES notation for (4-cyclopropylsulfonylpiperazin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanone?
The canonical SMILES for (4-cyclopropylsulfonylpiperazin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanone is Cc1nnc2ccc(C(=O)N3CCN(S(=O)(=O)C4CC4)CC3)nn12.
What is the InChIKey of (4-cyclopropylsulfonylpiperazin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanone?
The InChIKey is HLNLXEQRSDYPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O3S/c1-10-15-16-13-5-4-12(17-20(10)13)14(21)18-6-8-19(9-7-18)24(22,23)11-2-3-11/h4-5,11H,2-3,6-9H2,1H3.
What are the key properties of (4-cyclopropylsulfonylpiperazin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanone?
(4-cyclopropylsulfonylpiperazin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanone has a molecular weight of 350.40 g/mol, XLogP of -0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylsulfonylpiperazin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanone is sourced from PubChem (CID 146079211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).