N-[7-(1-adamantylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide

C18H24N4O3S — CID 90460903

IUPACN-[7-(1-adamantylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nnc2cc(OCC34CC5CC(CC(C5)C3)C4)ccn12
InChIInChI=1S/C18H24N4O3S/c1-26(23,24)21-17-20-19-16-7-15(2-3-22(16)17)25-11-18-8-12-4-13(9-18)6-14(5-12)10-18/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,20,21)
InChIKeyZKUVXTDMDZFHMH-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.70
Rot. Bonds5

About N-[7-(1-adamantylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide

N-[7-(1-adamantylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide (PubChem CID 90460903) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[7-(1-adamantylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[7-(1-adamantylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide
PubChem CID90460903
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-[7-(1-adamantylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nnc2cc(OCC34CC5CC(CC(C5)C3)C4)ccn12
InChIInChI=1S/C18H24N4O3S/c1-26(23,24)21-17-20-19-16-7-15(2-3-22(16)17)25-11-18-8-12-4-13(9-18)6-14(5-12)10-18/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,20,21)
InChIKeyZKUVXTDMDZFHMH-UHFFFAOYSA-N
XLogP2.70
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-(1-adamantylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide?
The IUPAC name of N-[7-(1-adamantylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide (CID 90460903) is N-[7-(1-adamantylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[7-(1-adamantylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide?
The canonical SMILES for N-[7-(1-adamantylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide is CS(=O)(=O)Nc1nnc2cc(OCC34CC5CC(CC(C5)C3)C4)ccn12.
What is the InChIKey of N-[7-(1-adamantylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide?
The InChIKey is ZKUVXTDMDZFHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-26(23,24)21-17-20-19-16-7-15(2-3-22(16)17)25-11-18-8-12-4-13(9-18)6-14(5-12)10-18/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,20,21).
What are the key properties of N-[7-(1-adamantylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide?
N-[7-(1-adamantylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-adamantylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide is sourced from PubChem (CID 90460903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).