4-methoxy-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-1,3,5-triazin-2-amine

C10H9N7OS — CID 80889557

IUPAC4-methoxy-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(Sc2nnc3ccccn23)n1
InChIInChI=1S/C10H9N7OS/c1-18-8-12-7(11)13-9(14-8)19-10-16-15-6-4-2-3-5-17(6)10/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyXTDCABVCPKNSJJ-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.66
Rot. Bonds3

About 4-methoxy-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-1,3,5-triazin-2-amine

4-methoxy-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 80889557) has the molecular formula C10H9N7OS and a molecular weight of 275.30 g/mol. Its IUPAC name is 4-methoxy-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID80889557
Molecular FormulaC10H9N7OS
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Name4-methoxy-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(Sc2nnc3ccccn23)n1
InChIInChI=1S/C10H9N7OS/c1-18-8-12-7(11)13-9(14-8)19-10-16-15-6-4-2-3-5-17(6)10/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyXTDCABVCPKNSJJ-UHFFFAOYSA-N
XLogP0.66
TPSA104.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-methoxy-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)aniline
CID 55132687
6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775157
methyl 3-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoate
CID 62850719
[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-5-yl]methanol
CID 113388746
methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
CID 60626209
3-(3-chloropyrazin-2-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
CID 55126639
5-methyl-2-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-amine
CID 80990134
2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine
CID 63820038
(1R)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanol
CID 55238535
1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanone
CID 55023570
(2S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 104889221
(2S)-1-(4-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one
CID 7558359

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-1,3,5-triazin-2-amine (CID 80889557) is 4-methoxy-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-1,3,5-triazin-2-amine is COc1nc(N)nc(Sc2nnc3ccccn23)n1.
What is the InChIKey of 4-methoxy-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is XTDCABVCPKNSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N7OS/c1-18-8-12-7(11)13-9(14-8)19-10-16-15-6-4-2-3-5-17(6)10/h2-5H,1H3,(H2,11,12,13,14).
What are the key properties of 4-methoxy-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-1,3,5-triazin-2-amine?
4-methoxy-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 275.30 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80889557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).