5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine

C16H20FN5O — CID 29256700

IUPAC5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine
SMILESFc1ccc(-c2cnnc(NCCCN3CCOCC3)n2)cc1
InChIInChI=1S/C16H20FN5O/c17-14-4-2-13(3-5-14)15-12-19-21-16(20-15)18-6-1-7-22-8-10-23-11-9-22/h2-5,12H,1,6-11H2,(H,18,20,21)
InChIKeyRXHRGHDAUDYUKD-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.81
Rot. Bonds6

About 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine

5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine (PubChem CID 29256700) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine
PubChem CID29256700
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine
SMILESFc1ccc(-c2cnnc(NCCCN3CCOCC3)n2)cc1
InChIInChI=1S/C16H20FN5O/c17-14-4-2-13(3-5-14)15-12-19-21-16(20-15)18-6-1-7-22-8-10-23-11-9-22/h2-5,12H,1,6-11H2,(H,18,20,21)
InChIKeyRXHRGHDAUDYUKD-UHFFFAOYSA-N
XLogP1.81
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine (CID 29256700) is 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine is Fc1ccc(-c2cnnc(NCCCN3CCOCC3)n2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine?
The InChIKey is RXHRGHDAUDYUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c17-14-4-2-13(3-5-14)15-12-19-21-16(20-15)18-6-1-7-22-8-10-23-11-9-22/h2-5,12H,1,6-11H2,(H,18,20,21).
What are the key properties of 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine?
5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine has a molecular weight of 317.37 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 29256700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).