(2S)-1-phenoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol

C15H15N3O2S — CID 39972669

IUPAC(2S)-1-phenoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
SMILESO[C@@H](COc1ccccc1)CSc1nnc2ccccn12
InChIInChI=1S/C15H15N3O2S/c19-12(10-20-13-6-2-1-3-7-13)11-21-15-17-16-14-8-4-5-9-18(14)15/h1-9,12,19H,10-11H2/t12-/m0/s1
InChIKeyMHOGNFSHNUFMQM-LBPRGKRZSA-N
MW301.37 g/mol
LogP2.26
Rot. Bonds6

About (2S)-1-phenoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol

(2S)-1-phenoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol (PubChem CID 39972669) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is (2S)-1-phenoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-phenoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
PubChem CID39972669
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name(2S)-1-phenoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
SMILESO[C@@H](COc1ccccc1)CSc1nnc2ccccn12
InChIInChI=1S/C15H15N3O2S/c19-12(10-20-13-6-2-1-3-7-13)11-21-15-17-16-14-8-4-5-9-18(14)15/h1-9,12,19H,10-11H2/t12-/m0/s1
InChIKeyMHOGNFSHNUFMQM-LBPRGKRZSA-N
XLogP2.26
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol?
The IUPAC name of (2S)-1-phenoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol (CID 39972669) is (2S)-1-phenoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol.
What is the SMILES notation for (2S)-1-phenoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol?
The canonical SMILES for (2S)-1-phenoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol is O[C@@H](COc1ccccc1)CSc1nnc2ccccn12.
What is the InChIKey of (2S)-1-phenoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol?
The InChIKey is MHOGNFSHNUFMQM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15N3O2S/c19-12(10-20-13-6-2-1-3-7-13)11-21-15-17-16-14-8-4-5-9-18(14)15/h1-9,12,19H,10-11H2/t12-/m0/s1.
What are the key properties of (2S)-1-phenoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol?
(2S)-1-phenoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol has a molecular weight of 301.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 39972669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).