N-[2-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]methanesulfonamide

C13H13N5O3S — CID 155540037

IUPACN-[2-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2ccc3ncnn3c2)cc1NS(C)(=O)=O
InChIInChI=1S/C13H13N5O3S/c1-21-13-11(17-22(2,19)20)5-10(6-14-13)9-3-4-12-15-8-16-18(12)7-9/h3-8,17H,1-2H3
InChIKeyILXUKGDXIUWRCG-UHFFFAOYSA-N
MW319.35 g/mol
LogP1.17
Rot. Bonds4

About N-[2-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]methanesulfonamide

N-[2-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]methanesulfonamide (PubChem CID 155540037) has the molecular formula C13H13N5O3S and a molecular weight of 319.35 g/mol. Its IUPAC name is N-[2-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]methanesulfonamide
PubChem CID155540037
Molecular FormulaC13H13N5O3S
Molecular Weight319.35 g/mol
Exact Mass319.07
IUPAC NameN-[2-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2ccc3ncnn3c2)cc1NS(C)(=O)=O
InChIInChI=1S/C13H13N5O3S/c1-21-13-11(17-22(2,19)20)5-10(6-14-13)9-3-4-12-15-8-16-18(12)7-9/h3-8,17H,1-2H3
InChIKeyILXUKGDXIUWRCG-UHFFFAOYSA-N
XLogP1.17
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[2-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]methanesulfonamide (CID 155540037) is N-[2-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[2-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]methanesulfonamide is COc1ncc(-c2ccc3ncnn3c2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]methanesulfonamide?
The InChIKey is ILXUKGDXIUWRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3S/c1-21-13-11(17-22(2,19)20)5-10(6-14-13)9-3-4-12-15-8-16-18(12)7-9/h3-8,17H,1-2H3.
What are the key properties of N-[2-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]methanesulfonamide?
N-[2-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]methanesulfonamide has a molecular weight of 319.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 155540037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).