5-(4-fluorophenyl)-N-(3-pyridin-3-yloxypropyl)-1,2,4-triazin-3-amine

C17H16FN5O — CID 42521611

IUPAC5-(4-fluorophenyl)-N-(3-pyridin-3-yloxypropyl)-1,2,4-triazin-3-amine
SMILESFc1ccc(-c2cnnc(NCCCOc3cccnc3)n2)cc1
InChIInChI=1S/C17H16FN5O/c18-14-6-4-13(5-7-14)16-12-21-23-17(22-16)20-9-2-10-24-15-3-1-8-19-11-15/h1,3-8,11-12H,2,9-10H2,(H,20,22,23)
InChIKeyDJRBJGSXNQBWPD-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.95
Rot. Bonds7

About 5-(4-fluorophenyl)-N-(3-pyridin-3-yloxypropyl)-1,2,4-triazin-3-amine

5-(4-fluorophenyl)-N-(3-pyridin-3-yloxypropyl)-1,2,4-triazin-3-amine (PubChem CID 42521611) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(3-pyridin-3-yloxypropyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(3-pyridin-3-yloxypropyl)-1,2,4-triazin-3-amine
PubChem CID42521611
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name5-(4-fluorophenyl)-N-(3-pyridin-3-yloxypropyl)-1,2,4-triazin-3-amine
SMILESFc1ccc(-c2cnnc(NCCCOc3cccnc3)n2)cc1
InChIInChI=1S/C17H16FN5O/c18-14-6-4-13(5-7-14)16-12-21-23-17(22-16)20-9-2-10-24-15-3-1-8-19-11-15/h1,3-8,11-12H,2,9-10H2,(H,20,22,23)
InChIKeyDJRBJGSXNQBWPD-UHFFFAOYSA-N
XLogP2.95
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.95
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-pyridin-3-yloxypropyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-(3-pyridin-3-yloxypropyl)-1,2,4-triazin-3-amine (CID 42521611) is 5-(4-fluorophenyl)-N-(3-pyridin-3-yloxypropyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(3-pyridin-3-yloxypropyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-(3-pyridin-3-yloxypropyl)-1,2,4-triazin-3-amine is Fc1ccc(-c2cnnc(NCCCOc3cccnc3)n2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(3-pyridin-3-yloxypropyl)-1,2,4-triazin-3-amine?
The InChIKey is DJRBJGSXNQBWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c18-14-6-4-13(5-7-14)16-12-21-23-17(22-16)20-9-2-10-24-15-3-1-8-19-11-15/h1,3-8,11-12H,2,9-10H2,(H,20,22,23).
What are the key properties of 5-(4-fluorophenyl)-N-(3-pyridin-3-yloxypropyl)-1,2,4-triazin-3-amine?
5-(4-fluorophenyl)-N-(3-pyridin-3-yloxypropyl)-1,2,4-triazin-3-amine has a molecular weight of 325.35 g/mol, XLogP of 2.95, 7 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-pyridin-3-yloxypropyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 42521611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).