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

C10H11N3O2S — CID 60626209

IUPACmethyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
SMILESCOC(=O)C(C)Sc1nnc2ccccn12
InChIInChI=1S/C10H11N3O2S/c1-7(9(14)15-2)16-10-12-11-8-5-3-4-6-13(8)10/h3-7H,1-2H3
InChIKeyOXPKCLRTKKGODD-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.38
Rot. Bonds3

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

methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate (PubChem CID 60626209) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate.

Molecular Properties

Compound Namemethyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
PubChem CID60626209
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Namemethyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
SMILESCOC(=O)C(C)Sc1nnc2ccccn12
InChIInChI=1S/C10H11N3O2S/c1-7(9(14)15-2)16-10-12-11-8-5-3-4-6-13(8)10/h3-7H,1-2H3
InChIKeyOXPKCLRTKKGODD-UHFFFAOYSA-N
XLogP1.38
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
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

(2S)-1-(4-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one
CID 7558359
(2S)-N-cyclopropyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 9373317
methyl 2-(propan-2-ylamino)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
CID 62849657
(2R)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide
CID 7888908
(2S)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide
CID 7888906
N-(2-ethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 46629614
3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoic acid
CID 62849275
3-methoxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid
CID 103224283
ethyl 2-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetate
CID 79357243
1-(3-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one
CID 42973094
(2S)-N-naphthalen-1-yl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 7558347
(2R)-N-[4-(dimethylamino)phenyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 2622659

Frequently Asked Questions

What is the IUPAC name of methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate?
The IUPAC name of methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate (CID 60626209) is methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate.
What is the SMILES notation for methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate?
The canonical SMILES for methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate is COC(=O)C(C)Sc1nnc2ccccn12.
What is the InChIKey of methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate?
The InChIKey is OXPKCLRTKKGODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-7(9(14)15-2)16-10-12-11-8-5-3-4-6-13(8)10/h3-7H,1-2H3.
What are the key properties of methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate?
methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate has a molecular weight of 237.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate is sourced from PubChem (CID 60626209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).