N-ethyl-6-(ethylaminomethyl)-N-(3-fluorophenyl)pyridazin-3-amine

C15H19FN4 — CID 62282854

IUPACN-ethyl-6-(ethylaminomethyl)-N-(3-fluorophenyl)pyridazin-3-amine
SMILESCCNCc1ccc(N(CC)c2cccc(F)c2)nn1
InChIInChI=1S/C15H19FN4/c1-3-17-11-13-8-9-15(19-18-13)20(4-2)14-7-5-6-12(16)10-14/h5-10,17H,3-4,11H2,1-2H3
InChIKeyUKRSWNLHFUGRGM-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.88
Rot. Bonds6

About N-ethyl-6-(ethylaminomethyl)-N-(3-fluorophenyl)pyridazin-3-amine

N-ethyl-6-(ethylaminomethyl)-N-(3-fluorophenyl)pyridazin-3-amine (PubChem CID 62282854) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is N-ethyl-6-(ethylaminomethyl)-N-(3-fluorophenyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-ethyl-6-(ethylaminomethyl)-N-(3-fluorophenyl)pyridazin-3-amine
PubChem CID62282854
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC NameN-ethyl-6-(ethylaminomethyl)-N-(3-fluorophenyl)pyridazin-3-amine
SMILESCCNCc1ccc(N(CC)c2cccc(F)c2)nn1
InChIInChI=1S/C15H19FN4/c1-3-17-11-13-8-9-15(19-18-13)20(4-2)14-7-5-6-12(16)10-14/h5-10,17H,3-4,11H2,1-2H3
InChIKeyUKRSWNLHFUGRGM-UHFFFAOYSA-N
XLogP2.88
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(ethylaminomethyl)-N-(3-fluorophenyl)pyridazin-3-amine?
The IUPAC name of N-ethyl-6-(ethylaminomethyl)-N-(3-fluorophenyl)pyridazin-3-amine (CID 62282854) is N-ethyl-6-(ethylaminomethyl)-N-(3-fluorophenyl)pyridazin-3-amine.
What is the SMILES notation for N-ethyl-6-(ethylaminomethyl)-N-(3-fluorophenyl)pyridazin-3-amine?
The canonical SMILES for N-ethyl-6-(ethylaminomethyl)-N-(3-fluorophenyl)pyridazin-3-amine is CCNCc1ccc(N(CC)c2cccc(F)c2)nn1.
What is the InChIKey of N-ethyl-6-(ethylaminomethyl)-N-(3-fluorophenyl)pyridazin-3-amine?
The InChIKey is UKRSWNLHFUGRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-3-17-11-13-8-9-15(19-18-13)20(4-2)14-7-5-6-12(16)10-14/h5-10,17H,3-4,11H2,1-2H3.
What are the key properties of N-ethyl-6-(ethylaminomethyl)-N-(3-fluorophenyl)pyridazin-3-amine?
N-ethyl-6-(ethylaminomethyl)-N-(3-fluorophenyl)pyridazin-3-amine has a molecular weight of 274.34 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(ethylaminomethyl)-N-(3-fluorophenyl)pyridazin-3-amine is sourced from PubChem (CID 62282854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).