[2-[[3-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl]phenyl]methanol

C26H21N3O2S — CID 68903918

IUPAC[2-[[3-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl]phenyl]methanol
SMILESOCc1ccccc1Sc1ccc2nnc(-c3ccccc3OCc3ccccc3)n2c1
InChIInChI=1S/C26H21N3O2S/c30-17-20-10-4-7-13-24(20)32-21-14-15-25-27-28-26(29(25)16-21)22-11-5-6-12-23(22)31-18-19-8-2-1-3-9-19/h1-16,30H,17-18H2
InChIKeyHUUHMWFRFIRUEH-UHFFFAOYSA-N
MW439.54 g/mol
LogP5.62
Rot. Bonds7

About [2-[[3-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl]phenyl]methanol

[2-[[3-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl]phenyl]methanol (PubChem CID 68903918) has the molecular formula C26H21N3O2S and a molecular weight of 439.54 g/mol. Its IUPAC name is [2-[[3-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[[3-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl]phenyl]methanol
PubChem CID68903918
Molecular FormulaC26H21N3O2S
Molecular Weight439.54 g/mol
Exact Mass439.14
IUPAC Name[2-[[3-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl]phenyl]methanol
SMILESOCc1ccccc1Sc1ccc2nnc(-c3ccccc3OCc3ccccc3)n2c1
InChIInChI=1S/C26H21N3O2S/c30-17-20-10-4-7-13-24(20)32-21-14-15-25-27-28-26(29(25)16-21)22-11-5-6-12-23(22)31-18-19-8-2-1-3-9-19/h1-16,30H,17-18H2
InChIKeyHUUHMWFRFIRUEH-UHFFFAOYSA-N
XLogP5.62
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.54
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[[3-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl]phenyl]methanol with MolForge

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Related Compounds

4-[6-[2-(azidomethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-chlorophenol
CID 136600407
3-(5-chloro-2-phenylmethoxyphenyl)-6-iodo-[1,2,4]triazolo[4,3-a]pyridine
CID 143522406
(2-methyl-3-phenylmethoxyphenyl)methanol
CID 58087471
ethane;(2-methyl-3-phenylmethoxyphenyl)methanol
CID 143384106
[2-(hydroxymethyl)-3-phenylmethoxyphenyl]methanol
CID 54499676
[3-[6-[2-(azidomethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-chlorophenyl] diphenyl phosphate
CID 91131292
1-[2-(4-methoxy-3-phenylmethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
CID 1044030
3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 137006539
[2-[(4-methylphenyl)methoxy]phenyl]methanol
CID 887273
3-[2-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392853
3-(2-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 79205858
1-(2-hydroxypropyl)-3-[[2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]methyl]urea
CID 10340902

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl]phenyl]methanol?
The IUPAC name of [2-[[3-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl]phenyl]methanol (CID 68903918) is [2-[[3-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl]phenyl]methanol.
What is the SMILES notation for [2-[[3-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl]phenyl]methanol?
The canonical SMILES for [2-[[3-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl]phenyl]methanol is OCc1ccccc1Sc1ccc2nnc(-c3ccccc3OCc3ccccc3)n2c1.
What is the InChIKey of [2-[[3-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl]phenyl]methanol?
The InChIKey is HUUHMWFRFIRUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2S/c30-17-20-10-4-7-13-24(20)32-21-14-15-25-27-28-26(29(25)16-21)22-11-5-6-12-23(22)31-18-19-8-2-1-3-9-19/h1-16,30H,17-18H2.
What are the key properties of [2-[[3-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl]phenyl]methanol?
[2-[[3-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl]phenyl]methanol has a molecular weight of 439.54 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl]phenyl]methanol is sourced from PubChem (CID 68903918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).