N-[2-(2-fluorophenoxy)ethyl]pyridazine-4-carboxamide

C13H12FN3O2 — CID 131899039

IUPACN-[2-(2-fluorophenoxy)ethyl]pyridazine-4-carboxamide
SMILESO=C(NCCOc1ccccc1F)c1ccnnc1
InChIInChI=1S/C13H12FN3O2/c14-11-3-1-2-4-12(11)19-8-7-15-13(18)10-5-6-16-17-9-10/h1-6,9H,7-8H2,(H,15,18)
InChIKeyFOMOZUZACQEUSD-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.42
Rot. Bonds5

About N-[2-(2-fluorophenoxy)ethyl]pyridazine-4-carboxamide

N-[2-(2-fluorophenoxy)ethyl]pyridazine-4-carboxamide (PubChem CID 131899039) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]pyridazine-4-carboxamide
PubChem CID131899039
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]pyridazine-4-carboxamide
SMILESO=C(NCCOc1ccccc1F)c1ccnnc1
InChIInChI=1S/C13H12FN3O2/c14-11-3-1-2-4-12(11)19-8-7-15-13(18)10-5-6-16-17-9-10/h1-6,9H,7-8H2,(H,15,18)
InChIKeyFOMOZUZACQEUSD-UHFFFAOYSA-N
XLogP1.42
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[2-(2-fluorophenoxy)ethyl]pyridazine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]pyridazine-4-carboxamide (CID 131899039) is N-[2-(2-fluorophenoxy)ethyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]pyridazine-4-carboxamide is O=C(NCCOc1ccccc1F)c1ccnnc1.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]pyridazine-4-carboxamide?
The InChIKey is FOMOZUZACQEUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c14-11-3-1-2-4-12(11)19-8-7-15-13(18)10-5-6-16-17-9-10/h1-6,9H,7-8H2,(H,15,18).
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]pyridazine-4-carboxamide?
N-[2-(2-fluorophenoxy)ethyl]pyridazine-4-carboxamide has a molecular weight of 261.26 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]pyridazine-4-carboxamide is sourced from PubChem (CID 131899039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).