7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C11H8FN5 — CID 1478926

IUPAC7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2nccc(-c3ccc(F)cc3)n2n1
InChIInChI=1S/C11H8FN5/c12-8-3-1-7(2-4-8)9-5-6-14-11-15-10(13)16-17(9)11/h1-6H,(H2,13,16)
InChIKeyRXDFXSOBWZOCNW-UHFFFAOYSA-N
MW229.22 g/mol
LogP1.51
Rot. Bonds1

About 7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 1478926) has the molecular formula C11H8FN5 and a molecular weight of 229.22 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID1478926
Molecular FormulaC11H8FN5
Molecular Weight229.22 g/mol
Exact Mass229.08
IUPAC Name7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2nccc(-c3ccc(F)cc3)n2n1
InChIInChI=1S/C11H8FN5/c12-8-3-1-7(2-4-8)9-5-6-14-11-15-10(13)16-17(9)11/h1-6H,(H2,13,16)
InChIKeyRXDFXSOBWZOCNW-UHFFFAOYSA-N
XLogP1.51
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 1478926) is 7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Nc1nc2nccc(-c3ccc(F)cc3)n2n1.
What is the InChIKey of 7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is RXDFXSOBWZOCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5/c12-8-3-1-7(2-4-8)9-5-6-14-11-15-10(13)16-17(9)11/h1-6H,(H2,13,16).
What are the key properties of 7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 229.22 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 1478926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).