3-[6-(1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol

C15H10N4OS — CID 155534198

IUPAC3-[6-(1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
SMILESOc1cccc(-c2nnc3ccc(-c4ccns4)cn23)c1
InChIInChI=1S/C15H10N4OS/c20-12-3-1-2-10(8-12)15-18-17-14-5-4-11(9-19(14)15)13-6-7-16-21-13/h1-9,20H
InChIKeyPVUSXURHMCRIEU-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.23
Rot. Bonds2

About 3-[6-(1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol

3-[6-(1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol (PubChem CID 155534198) has the molecular formula C15H10N4OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 3-[6-(1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol.

Molecular Properties

Compound Name3-[6-(1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
PubChem CID155534198
Molecular FormulaC15H10N4OS
Molecular Weight294.34 g/mol
Exact Mass294.06
IUPAC Name3-[6-(1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
SMILESOc1cccc(-c2nnc3ccc(-c4ccns4)cn23)c1
InChIInChI=1S/C15H10N4OS/c20-12-3-1-2-10(8-12)15-18-17-14-5-4-11(9-19(14)15)13-6-7-16-21-13/h1-9,20H
InChIKeyPVUSXURHMCRIEU-UHFFFAOYSA-N
XLogP3.23
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[6-(1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol with MolForge

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Related Compounds

4-((6-Phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)phenol
CID 24901698
4-[[6-(3-Methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 44576917
3-Methyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenol
CID 46948662
US11786528, Example 44
CID 146268691
US11786528, Example 42
CID 146268699
US11786528, Example 45
CID 146270337
3-[6-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
CID 155520896
3-[6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
CID 155522801
3-(6-Pyrazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol
CID 155534768
3-[6-(2H-triazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
CID 155548302
3-[6-(1-Methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
CID 155552570
3-[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
CID 155556423

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
The IUPAC name of 3-[6-(1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol (CID 155534198) is 3-[6-(1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol.
What is the SMILES notation for 3-[6-(1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
The canonical SMILES for 3-[6-(1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol is Oc1cccc(-c2nnc3ccc(-c4ccns4)cn23)c1.
What is the InChIKey of 3-[6-(1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
The InChIKey is PVUSXURHMCRIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4OS/c20-12-3-1-2-10(8-12)15-18-17-14-5-4-11(9-19(14)15)13-6-7-16-21-13/h1-9,20H.
What are the key properties of 3-[6-(1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
3-[6-(1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol has a molecular weight of 294.34 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol is sourced from PubChem (CID 155534198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).