methyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate

C10H11N3O2S — CID 15627151

IUPACmethyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
SMILESCOC(=O)CCSc1nnc2ccccn12
InChIInChI=1S/C10H11N3O2S/c1-15-9(14)5-7-16-10-12-11-8-4-2-3-6-13(8)10/h2-4,6H,5,7H2,1H3
InChIKeyOXJRTKXVBNPPCM-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.38
Rot. Bonds4

About methyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate

methyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate (PubChem CID 15627151) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is methyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate.

Molecular Properties

Compound Namemethyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
PubChem CID15627151
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Namemethyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
SMILESCOC(=O)CCSc1nnc2ccccn12
InChIInChI=1S/C10H11N3O2S/c1-15-9(14)5-7-16-10-12-11-8-4-2-3-6-13(8)10/h2-4,6H,5,7H2,1H3
InChIKeyOXJRTKXVBNPPCM-UHFFFAOYSA-N
XLogP1.38
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-oxo-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoate
CID 60626192
1-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one
CID 62850179
methyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzoate
CID 2379528
methyl 3-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]sulfanylpropanoate
CID 63835303
N-[(2S)-butan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 8015110
methyl 2-(propan-2-ylamino)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
CID 62849657
methyl 4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzoate
CID 705274
2-amino-2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid
CID 62850363
2-(ethylamino)-2-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide
CID 62848602
methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
CID 60626209
N'-hydroxy-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanimidamide
CID 55126543
N-propan-2-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-amine
CID 62848594

Frequently Asked Questions

What is the IUPAC name of methyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate?
The IUPAC name of methyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate (CID 15627151) is methyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate.
What is the SMILES notation for methyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate?
The canonical SMILES for methyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate is COC(=O)CCSc1nnc2ccccn12.
What is the InChIKey of methyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate?
The InChIKey is OXJRTKXVBNPPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-15-9(14)5-7-16-10-12-11-8-4-2-3-6-13(8)10/h2-4,6H,5,7H2,1H3.
What are the key properties of methyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate?
methyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate has a molecular weight of 237.28 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate is sourced from PubChem (CID 15627151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).