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

C14H22N6O2S — CID 136542425

IUPACN-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCc1nnc2ccc(N3CCCC(CN(C)S(C)(=O)=O)C3)nn12
InChIInChI=1S/C14H22N6O2S/c1-11-15-16-13-6-7-14(17-20(11)13)19-8-4-5-12(10-19)9-18(2)23(3,21)22/h6-7,12H,4-5,8-10H2,1-3H3
InChIKeyFDWBFBHWWUVDAE-UHFFFAOYSA-N
MW338.44 g/mol
LogP0.54
Rot. Bonds4

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

N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 136542425) has the molecular formula C14H22N6O2S and a molecular weight of 338.44 g/mol. Its IUPAC name is N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID136542425
Molecular FormulaC14H22N6O2S
Molecular Weight338.44 g/mol
Exact Mass338.15
IUPAC NameN-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCc1nnc2ccc(N3CCCC(CN(C)S(C)(=O)=O)C3)nn12
InChIInChI=1S/C14H22N6O2S/c1-11-15-16-13-6-7-14(17-20(11)13)19-8-4-5-12(10-19)9-18(2)23(3,21)22/h6-7,12H,4-5,8-10H2,1-3H3
InChIKeyFDWBFBHWWUVDAE-UHFFFAOYSA-N
XLogP0.54
TPSA83.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(3R)-3-(azepan-1-ylmethyl)piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 97075061
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
N-[[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide
CID 136542424
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 66804167
N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(2-pyrrolidin-1-ylethyl)azetidin-3-amine
CID 126921226
N-cyclohexyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126921223
N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 42653402
(3R)-N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39310132
3-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]benzenesulfonamide
CID 133294753
[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanol
CID 47060288
N,3-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126921210

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methyl]methanesulfonamide (CID 136542425) is N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methyl]methanesulfonamide is Cc1nnc2ccc(N3CCCC(CN(C)S(C)(=O)=O)C3)nn12.
What is the InChIKey of N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is FDWBFBHWWUVDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2S/c1-11-15-16-13-6-7-14(17-20(11)13)19-8-4-5-12(10-19)9-18(2)23(3,21)22/h6-7,12H,4-5,8-10H2,1-3H3.
What are the key properties of N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methyl]methanesulfonamide?
N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 338.44 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 136542425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).