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

C14H20N6O2S — CID 146074495

IUPACN-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclopropanesulfonamide
SMILESCc1nnc2ccc(N3CCC(NS(=O)(=O)C4CC4)CC3)nn12
InChIInChI=1S/C14H20N6O2S/c1-10-15-16-13-4-5-14(17-20(10)13)19-8-6-11(7-9-19)18-23(21,22)12-2-3-12/h4-5,11-12,18H,2-3,6-9H2,1H3
InChIKeyXZDTXNWYVILZCW-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.48
Rot. Bonds4

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

N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclopropanesulfonamide (PubChem CID 146074495) has the molecular formula C14H20N6O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclopropanesulfonamide
PubChem CID146074495
Molecular FormulaC14H20N6O2S
Molecular Weight336.42 g/mol
Exact Mass336.14
IUPAC NameN-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclopropanesulfonamide
SMILESCc1nnc2ccc(N3CCC(NS(=O)(=O)C4CC4)CC3)nn12
InChIInChI=1S/C14H20N6O2S/c1-10-15-16-13-4-5-14(17-20(10)13)19-8-6-11(7-9-19)18-23(21,22)12-2-3-12/h4-5,11-12,18H,2-3,6-9H2,1H3
InChIKeyXZDTXNWYVILZCW-UHFFFAOYSA-N
XLogP0.48
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 869579
4-chloro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide
CID 134801544
CID 134801667
CID 134801667
N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclopropanesulfonamide
CID 146079677
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
4-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]benzamide
CID 134801995
1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-3-phenylurea
CID 134803797
N-cyclopentyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-sulfonamide
CID 75476008
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
3-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]benzenesulfonamide
CID 133294753
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclopropanesulfonamide?
The IUPAC name of N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclopropanesulfonamide (CID 146074495) is N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclopropanesulfonamide is Cc1nnc2ccc(N3CCC(NS(=O)(=O)C4CC4)CC3)nn12.
What is the InChIKey of N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclopropanesulfonamide?
The InChIKey is XZDTXNWYVILZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2S/c1-10-15-16-13-4-5-14(17-20(10)13)19-8-6-11(7-9-19)18-23(21,22)12-2-3-12/h4-5,11-12,18H,2-3,6-9H2,1H3.
What are the key properties of N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclopropanesulfonamide?
N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclopropanesulfonamide has a molecular weight of 336.42 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclopropanesulfonamide is sourced from PubChem (CID 146074495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).