7-[(2-methylsulfonylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C13H13N5O3S — CID 126648904

IUPAC7-[(2-methylsulfonylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCS(=O)(=O)c1ccccc1COc1cc(N)nc2n[nH]nc12
InChIInChI=1S/C13H13N5O3S/c1-22(19,20)10-5-3-2-4-8(10)7-21-9-6-11(14)15-13-12(9)16-18-17-13/h2-6H,7H2,1H3,(H3,14,15,16,17,18)
InChIKeyYNVHORBIBPVALL-UHFFFAOYSA-N
MW319.35 g/mol
LogP0.92
Rot. Bonds4

About 7-[(2-methylsulfonylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[(2-methylsulfonylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126648904) has the molecular formula C13H13N5O3S and a molecular weight of 319.35 g/mol. Its IUPAC name is 7-[(2-methylsulfonylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(2-methylsulfonylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126648904
Molecular FormulaC13H13N5O3S
Molecular Weight319.35 g/mol
Exact Mass319.07
IUPAC Name7-[(2-methylsulfonylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCS(=O)(=O)c1ccccc1COc1cc(N)nc2n[nH]nc12
InChIInChI=1S/C13H13N5O3S/c1-22(19,20)10-5-3-2-4-8(10)7-21-9-6-11(14)15-13-12(9)16-18-17-13/h2-6H,7H2,1H3,(H3,14,15,16,17,18)
InChIKeyYNVHORBIBPVALL-UHFFFAOYSA-N
XLogP0.92
TPSA123.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[(2-methylsulfonylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-phenylmethoxy-2H-triazolo[4,5-b]pyridin-5-amine
CID 6415548
7-((2-Fluorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648996
7-[[3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678812
7-((4-chlorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126678883
7-[[3-(2-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678929
7-((3-chlorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126680348
7-[(2-chlorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126680363
US10981879, Example 9
CID 130365213
7-[[6-(3-fluorophenyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950209
7-[[4-(2-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648637
7-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648702
7-[[2-methoxy-3-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648759

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methylsulfonylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(2-methylsulfonylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126648904) is 7-[(2-methylsulfonylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(2-methylsulfonylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(2-methylsulfonylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is CS(=O)(=O)c1ccccc1COc1cc(N)nc2n[nH]nc12.
What is the InChIKey of 7-[(2-methylsulfonylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is YNVHORBIBPVALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3S/c1-22(19,20)10-5-3-2-4-8(10)7-21-9-6-11(14)15-13-12(9)16-18-17-13/h2-6H,7H2,1H3,(H3,14,15,16,17,18).
What are the key properties of 7-[(2-methylsulfonylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(2-methylsulfonylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 319.35 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methylsulfonylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126648904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).