5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline

C15H19FN4O — CID 83967027

IUPAC5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(-c2nnc3n2CC(F)CC3)cc1N
InChIInChI=1S/C15H19FN4O/c1-9(2)21-13-5-3-10(7-12(13)17)15-19-18-14-6-4-11(16)8-20(14)15/h3,5,7,9,11H,4,6,8,17H2,1-2H3
InChIKeyYTRSZYRUJZBSAJ-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.60
Rot. Bonds3

About 5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline

5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline (PubChem CID 83967027) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline
PubChem CID83967027
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(-c2nnc3n2CC(F)CC3)cc1N
InChIInChI=1S/C15H19FN4O/c1-9(2)21-13-5-3-10(7-12(13)17)15-19-18-14-6-4-11(16)8-20(14)15/h3,5,7,9,11H,4,6,8,17H2,1-2H3
InChIKeyYTRSZYRUJZBSAJ-UHFFFAOYSA-N
XLogP2.60
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.60
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-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline?
The IUPAC name of 5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline (CID 83967027) is 5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline.
What is the SMILES notation for 5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline?
The canonical SMILES for 5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline is CC(C)Oc1ccc(-c2nnc3n2CC(F)CC3)cc1N.
What is the InChIKey of 5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline?
The InChIKey is YTRSZYRUJZBSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-9(2)21-13-5-3-10(7-12(13)17)15-19-18-14-6-4-11(16)8-20(14)15/h3,5,7,9,11H,4,6,8,17H2,1-2H3.
What are the key properties of 5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline?
5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline has a molecular weight of 290.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline is sourced from PubChem (CID 83967027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).