4-[([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)methyl]phenol

C13H12N4O — CID 114332619

IUPAC4-[([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)methyl]phenol
SMILESOc1ccc(CNc2nc3ccccn3n2)cc1
InChIInChI=1S/C13H12N4O/c18-11-6-4-10(5-7-11)9-14-13-15-12-3-1-2-8-17(12)16-13/h1-8,18H,9H2,(H,14,16)
InChIKeyFPUZGDIESLYDTE-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.05
Rot. Bonds3

About 4-[([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)methyl]phenol

4-[([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)methyl]phenol (PubChem CID 114332619) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-[([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-[([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)methyl]phenol
PubChem CID114332619
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name4-[([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)methyl]phenol
SMILESOc1ccc(CNc2nc3ccccn3n2)cc1
InChIInChI=1S/C13H12N4O/c18-11-6-4-10(5-7-11)9-14-13-15-12-3-1-2-8-17(12)16-13/h1-8,18H,9H2,(H,14,16)
InChIKeyFPUZGDIESLYDTE-UHFFFAOYSA-N
XLogP2.05
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)methyl]phenol?
The IUPAC name of 4-[([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)methyl]phenol (CID 114332619) is 4-[([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)methyl]phenol.
What is the SMILES notation for 4-[([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)methyl]phenol?
The canonical SMILES for 4-[([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)methyl]phenol is Oc1ccc(CNc2nc3ccccn3n2)cc1.
What is the InChIKey of 4-[([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)methyl]phenol?
The InChIKey is FPUZGDIESLYDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c18-11-6-4-10(5-7-11)9-14-13-15-12-3-1-2-8-17(12)16-13/h1-8,18H,9H2,(H,14,16).
What are the key properties of 4-[([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)methyl]phenol?
4-[([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)methyl]phenol has a molecular weight of 240.27 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)methyl]phenol is sourced from PubChem (CID 114332619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).