5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline

C15H15FN4O — CID 82058683

IUPAC5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(-c2nnc3ccc(F)cn23)cc1N
InChIInChI=1S/C15H15FN4O/c1-9(2)21-13-5-3-10(7-12(13)17)15-19-18-14-6-4-11(16)8-20(14)15/h3-9H,17H2,1-2H3
InChIKeyORYPORIRCCLAMP-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.90
Rot. Bonds3

About 5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline

5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline (PubChem CID 82058683) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline
PubChem CID82058683
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(-c2nnc3ccc(F)cn23)cc1N
InChIInChI=1S/C15H15FN4O/c1-9(2)21-13-5-3-10(7-12(13)17)15-19-18-14-6-4-11(16)8-20(14)15/h3-9H,17H2,1-2H3
InChIKeyORYPORIRCCLAMP-UHFFFAOYSA-N
XLogP2.90
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.90
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 5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline?
The IUPAC name of 5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline (CID 82058683) is 5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline.
What is the SMILES notation for 5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline?
The canonical SMILES for 5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline is CC(C)Oc1ccc(-c2nnc3ccc(F)cn23)cc1N.
What is the InChIKey of 5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline?
The InChIKey is ORYPORIRCCLAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-9(2)21-13-5-3-10(7-12(13)17)15-19-18-14-6-4-11(16)8-20(14)15/h3-9H,17H2,1-2H3.
What are the key properties of 5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline?
5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline has a molecular weight of 286.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline is sourced from PubChem (CID 82058683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).