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

C16H17N3O2S — CID 47010245

IUPAC1-phenylmethoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
SMILESOC(COCc1ccccc1)CSc1nnc2ccccn12
InChIInChI=1S/C16H17N3O2S/c20-14(11-21-10-13-6-2-1-3-7-13)12-22-16-18-17-15-8-4-5-9-19(15)16/h1-9,14,20H,10-12H2
InChIKeyXQOWYFQHXHCXDH-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.40
Rot. Bonds7

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

1-phenylmethoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol (PubChem CID 47010245) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-phenylmethoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-phenylmethoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
PubChem CID47010245
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name1-phenylmethoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
SMILESOC(COCc1ccccc1)CSc1nnc2ccccn12
InChIInChI=1S/C16H17N3O2S/c20-14(11-21-10-13-6-2-1-3-7-13)12-22-16-18-17-15-8-4-5-9-19(15)16/h1-9,14,20H,10-12H2
InChIKeyXQOWYFQHXHCXDH-UHFFFAOYSA-N
XLogP2.40
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-phenylmethoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol with MolForge

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Related Compounds

1-(Thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
CID 51073493
1-Phenylmethoxy-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propan-2-ol
CID 17539239
6-{[(2,4-Difluorobenzyl)oxy]methyl}-3-isopropyl[1,2,4]triazolo[4,3-a]pyridine
CID 11493422
1-Phenyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol
CID 66858757
1-Phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol
CID 66858758
1-Phenyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)but-3-yn-2-ol
CID 66860525
[1-[4-[6-[(2,4-Difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]-2-hydroxyethyl] 2,2,2-trifluoroacetate
CID 68954606
7-(1,1-Difluoro-3-phenylmethoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 172299555
1-(6-Fluoro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-3-phenylmethoxypropan-1-ol
CID 172299876
[1-(6-Fluoro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-3-phenylmethoxypropyl] formate
CID 176090959
3-[(3-Fluoro-4-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 2633262
3-[(5-Fluoro-2-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 7888771

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol?
The IUPAC name of 1-phenylmethoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol (CID 47010245) is 1-phenylmethoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-phenylmethoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol?
The canonical SMILES for 1-phenylmethoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol is OC(COCc1ccccc1)CSc1nnc2ccccn12.
What is the InChIKey of 1-phenylmethoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol?
The InChIKey is XQOWYFQHXHCXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c20-14(11-21-10-13-6-2-1-3-7-13)12-22-16-18-17-15-8-4-5-9-19(15)16/h1-9,14,20H,10-12H2.
What are the key properties of 1-phenylmethoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol?
1-phenylmethoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol has a molecular weight of 315.40 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 47010245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).