4-[5-[(4-fluorophenyl)methylamino]triazolo[4,5-b]pyridin-3-yl]phenol

C18H14FN5O — CID 53372414

IUPAC4-[5-[(4-fluorophenyl)methylamino]triazolo[4,5-b]pyridin-3-yl]phenol
SMILESOc1ccc(-n2nnc3ccc(NCc4ccc(F)cc4)nc32)cc1
InChIInChI=1S/C18H14FN5O/c19-13-3-1-12(2-4-13)11-20-17-10-9-16-18(21-17)24(23-22-16)14-5-7-15(25)8-6-14/h1-10,25H,11H2,(H,20,21)
InChIKeySVTDVWJFXAZKNE-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.27
Rot. Bonds4

About 4-[5-[(4-fluorophenyl)methylamino]triazolo[4,5-b]pyridin-3-yl]phenol

4-[5-[(4-fluorophenyl)methylamino]triazolo[4,5-b]pyridin-3-yl]phenol (PubChem CID 53372414) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 4-[5-[(4-fluorophenyl)methylamino]triazolo[4,5-b]pyridin-3-yl]phenol.

Molecular Properties

Compound Name4-[5-[(4-fluorophenyl)methylamino]triazolo[4,5-b]pyridin-3-yl]phenol
PubChem CID53372414
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name4-[5-[(4-fluorophenyl)methylamino]triazolo[4,5-b]pyridin-3-yl]phenol
SMILESOc1ccc(-n2nnc3ccc(NCc4ccc(F)cc4)nc32)cc1
InChIInChI=1S/C18H14FN5O/c19-13-3-1-12(2-4-13)11-20-17-10-9-16-18(21-17)24(23-22-16)14-5-7-15(25)8-6-14/h1-10,25H,11H2,(H,20,21)
InChIKeySVTDVWJFXAZKNE-UHFFFAOYSA-N
XLogP3.27
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-fluorophenyl)methylamino]triazolo[4,5-b]pyridin-3-yl]phenol?
The IUPAC name of 4-[5-[(4-fluorophenyl)methylamino]triazolo[4,5-b]pyridin-3-yl]phenol (CID 53372414) is 4-[5-[(4-fluorophenyl)methylamino]triazolo[4,5-b]pyridin-3-yl]phenol.
What is the SMILES notation for 4-[5-[(4-fluorophenyl)methylamino]triazolo[4,5-b]pyridin-3-yl]phenol?
The canonical SMILES for 4-[5-[(4-fluorophenyl)methylamino]triazolo[4,5-b]pyridin-3-yl]phenol is Oc1ccc(-n2nnc3ccc(NCc4ccc(F)cc4)nc32)cc1.
What is the InChIKey of 4-[5-[(4-fluorophenyl)methylamino]triazolo[4,5-b]pyridin-3-yl]phenol?
The InChIKey is SVTDVWJFXAZKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c19-13-3-1-12(2-4-13)11-20-17-10-9-16-18(21-17)24(23-22-16)14-5-7-15(25)8-6-14/h1-10,25H,11H2,(H,20,21).
What are the key properties of 4-[5-[(4-fluorophenyl)methylamino]triazolo[4,5-b]pyridin-3-yl]phenol?
4-[5-[(4-fluorophenyl)methylamino]triazolo[4,5-b]pyridin-3-yl]phenol has a molecular weight of 335.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-fluorophenyl)methylamino]triazolo[4,5-b]pyridin-3-yl]phenol is sourced from PubChem (CID 53372414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).