N-[1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-yl]methanesulfonamide

C13H19N5O2S — CID 162632987

IUPACN-[1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(Cc2ccn3ncnc3c2)CC1
InChIInChI=1S/C13H19N5O2S/c1-21(19,20)16-12-3-5-17(6-4-12)9-11-2-7-18-13(8-11)14-10-15-18/h2,7-8,10,12,16H,3-6,9H2,1H3
InChIKeyDOXMAFNWRFIUQP-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.24
Rot. Bonds4

About N-[1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-yl]methanesulfonamide

N-[1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-yl]methanesulfonamide (PubChem CID 162632987) has the molecular formula C13H19N5O2S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-yl]methanesulfonamide
PubChem CID162632987
Molecular FormulaC13H19N5O2S
Molecular Weight309.39 g/mol
Exact Mass309.13
IUPAC NameN-[1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(Cc2ccn3ncnc3c2)CC1
InChIInChI=1S/C13H19N5O2S/c1-21(19,20)16-12-3-5-17(6-4-12)9-11-2-7-18-13(8-11)14-10-15-18/h2,7-8,10,12,16H,3-6,9H2,1H3
InChIKeyDOXMAFNWRFIUQP-UHFFFAOYSA-N
XLogP0.24
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 163311933
N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide
CID 77093819
N-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide
CID 91836825
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
7-[[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 166265298
pyridin-3-yl-[1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-yl]methanol
CID 157013482
N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 77081003
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 47134698
N-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanesulfonamide
CID 70716729
N-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanesulfonamide
CID 91843778
N-[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 75439395
N-[1-[[4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]phenyl]methyl]piperidin-4-yl]methanesulfonamide
CID 66547789

Frequently Asked Questions

What is the IUPAC name of N-[1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-yl]methanesulfonamide (CID 162632987) is N-[1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(Cc2ccn3ncnc3c2)CC1.
What is the InChIKey of N-[1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is DOXMAFNWRFIUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-21(19,20)16-12-3-5-17(6-4-12)9-11-2-7-18-13(8-11)14-10-15-18/h2,7-8,10,12,16H,3-6,9H2,1H3.
What are the key properties of N-[1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-yl]methanesulfonamide?
N-[1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 162632987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).