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

C12H18N6O2S — CID 166603584

IUPACN-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanesulfonamide
SMILESCN(C1CCCN(c2ccc3nncn3n2)C1)S(C)(=O)=O
InChIInChI=1S/C12H18N6O2S/c1-16(21(2,19)20)10-4-3-7-17(8-10)12-6-5-11-14-13-9-18(11)15-12/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeySLZMKNDEHAWTDG-UHFFFAOYSA-N
MW310.38 g/mol
LogP-0.02
Rot. Bonds3

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

N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanesulfonamide (PubChem CID 166603584) has the molecular formula C12H18N6O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanesulfonamide
PubChem CID166603584
Molecular FormulaC12H18N6O2S
Molecular Weight310.38 g/mol
Exact Mass310.12
IUPAC NameN-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanesulfonamide
SMILESCN(C1CCCN(c2ccc3nncn3n2)C1)S(C)(=O)=O
InChIInChI=1S/C12H18N6O2S/c1-16(21(2,19)20)10-4-3-7-17(8-10)12-6-5-11-14-13-9-18(11)15-12/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeySLZMKNDEHAWTDG-UHFFFAOYSA-N
XLogP-0.02
TPSA83.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanesulfonamide (CID 166603584) is N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanesulfonamide is CN(C1CCCN(c2ccc3nncn3n2)C1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanesulfonamide?
The InChIKey is SLZMKNDEHAWTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2S/c1-16(21(2,19)20)10-4-3-7-17(8-10)12-6-5-11-14-13-9-18(11)15-12/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanesulfonamide?
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanesulfonamide has a molecular weight of 310.38 g/mol, XLogP of -0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 166603584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).