5-(4-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C18H13FN4 — CID 59186476

IUPAC5-(4-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFc1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1
InChIInChI=1S/C18H13FN4/c19-14-11-9-13(10-12-14)16-7-4-8-17-21-18(22-23(16)17)20-15-5-2-1-3-6-15/h1-12H,(H,20,22)
InChIKeyYVHFIRHKUWBQRF-UHFFFAOYSA-N
MW304.33 g/mol
LogP4.28
Rot. Bonds3

About 5-(4-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(4-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59186476) has the molecular formula C18H13FN4 and a molecular weight of 304.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59186476
Molecular FormulaC18H13FN4
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC Name5-(4-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFc1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1
InChIInChI=1S/C18H13FN4/c19-14-11-9-13(10-12-14)16-7-4-8-17-21-18(22-23(16)17)20-15-5-2-1-3-6-15/h1-12H,(H,20,22)
InChIKeyYVHFIRHKUWBQRF-UHFFFAOYSA-N
XLogP4.28
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59186476) is 5-(4-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Fc1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is YVHFIRHKUWBQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4/c19-14-11-9-13(10-12-14)16-7-4-8-17-21-18(22-23(16)17)20-15-5-2-1-3-6-15/h1-12H,(H,20,22).
What are the key properties of 5-(4-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(4-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 304.33 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59186476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).