2-(methanesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide

C11H19N5O3S — CID 47404536

IUPAC2-(methanesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
SMILESCC(NS(C)(=O)=O)C(=O)NCc1nnc2n1CCCC2
InChIInChI=1S/C11H19N5O3S/c1-8(15-20(2,18)19)11(17)12-7-10-14-13-9-5-3-4-6-16(9)10/h8,15H,3-7H2,1-2H3,(H,12,17)
InChIKeyVMGUBZZLOWBIPQ-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.83
Rot. Bonds5

About 2-(methanesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide

2-(methanesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide (PubChem CID 47404536) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-(methanesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
PubChem CID47404536
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC Name2-(methanesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
SMILESCC(NS(C)(=O)=O)C(=O)NCc1nnc2n1CCCC2
InChIInChI=1S/C11H19N5O3S/c1-8(15-20(2,18)19)11(17)12-7-10-14-13-9-5-3-4-6-16(9)10/h8,15H,3-7H2,1-2H3,(H,12,17)
InChIKeyVMGUBZZLOWBIPQ-UHFFFAOYSA-N
XLogP-0.83
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
The IUPAC name of 2-(methanesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide (CID 47404536) is 2-(methanesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-(methanesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 2-(methanesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide is CC(NS(C)(=O)=O)C(=O)NCc1nnc2n1CCCC2.
What is the InChIKey of 2-(methanesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
The InChIKey is VMGUBZZLOWBIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-8(15-20(2,18)19)11(17)12-7-10-14-13-9-5-3-4-6-16(9)10/h8,15H,3-7H2,1-2H3,(H,12,17).
What are the key properties of 2-(methanesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
2-(methanesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide has a molecular weight of 301.37 g/mol, XLogP of -0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 47404536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).