2-[(2-amino-6-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C13H11FN4O — CID 63330809

IUPAC2-[(2-amino-6-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNc1cccc(F)c1Cn1nc2ccccn2c1=O
InChIInChI=1S/C13H11FN4O/c14-10-4-3-5-11(15)9(10)8-18-13(19)17-7-2-1-6-12(17)16-18/h1-7H,8,15H2
InChIKeySLZSKDXKJSYLGJ-UHFFFAOYSA-N
MW258.26 g/mol
LogP1.27
Rot. Bonds2

About 2-[(2-amino-6-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[(2-amino-6-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 63330809) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 2-[(2-amino-6-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[(2-amino-6-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID63330809
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name2-[(2-amino-6-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNc1cccc(F)c1Cn1nc2ccccn2c1=O
InChIInChI=1S/C13H11FN4O/c14-10-4-3-5-11(15)9(10)8-18-13(19)17-7-2-1-6-12(17)16-18/h1-7H,8,15H2
InChIKeySLZSKDXKJSYLGJ-UHFFFAOYSA-N
XLogP1.27
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[(2-amino-6-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 63330809) is 2-[(2-amino-6-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[(2-amino-6-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[(2-amino-6-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is Nc1cccc(F)c1Cn1nc2ccccn2c1=O.
What is the InChIKey of 2-[(2-amino-6-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is SLZSKDXKJSYLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c14-10-4-3-5-11(15)9(10)8-18-13(19)17-7-2-1-6-12(17)16-18/h1-7H,8,15H2.
What are the key properties of 2-[(2-amino-6-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[(2-amino-6-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 258.26 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 63330809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).