2-(3,4-dihydro-2H-pyran-6-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C17H15FN4O — CID 18313584

IUPAC2-(3,4-dihydro-2H-pyran-6-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESNc1cc(-c2ccc(F)cc2)cc2nc(C3=CCCCO3)nn12
InChIInChI=1S/C17H15FN4O/c18-13-6-4-11(5-7-13)12-9-15(19)22-16(10-12)20-17(21-22)14-3-1-2-8-23-14/h3-7,9-10H,1-2,8,19H2
InChIKeyMONGOUWYZRYHBH-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.27
Rot. Bonds2

About 2-(3,4-dihydro-2H-pyran-6-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine

2-(3,4-dihydro-2H-pyran-6-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 18313584) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-6-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-6-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID18313584
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name2-(3,4-dihydro-2H-pyran-6-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESNc1cc(-c2ccc(F)cc2)cc2nc(C3=CCCCO3)nn12
InChIInChI=1S/C17H15FN4O/c18-13-6-4-11(5-7-13)12-9-15(19)22-16(10-12)20-17(21-22)14-3-1-2-8-23-14/h3-7,9-10H,1-2,8,19H2
InChIKeyMONGOUWYZRYHBH-UHFFFAOYSA-N
XLogP3.27
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-6-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-6-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 18313584) is 2-(3,4-dihydro-2H-pyran-6-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-6-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-6-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine is Nc1cc(-c2ccc(F)cc2)cc2nc(C3=CCCCO3)nn12.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-6-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is MONGOUWYZRYHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c18-13-6-4-11(5-7-13)12-9-15(19)22-16(10-12)20-17(21-22)14-3-1-2-8-23-14/h3-7,9-10H,1-2,8,19H2.
What are the key properties of 2-(3,4-dihydro-2H-pyran-6-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
2-(3,4-dihydro-2H-pyran-6-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 310.33 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-6-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 18313584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).