2-[(4-amino-3-fluorophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one

C15H19FN4O — CID 114393637

IUPAC2-[(4-amino-3-fluorophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn(Cc2ccc(N)c(F)c2)c(=O)c1
InChIInChI=1S/C15H19FN4O/c1-3-6-19(2)12-8-15(21)20(18-9-12)10-11-4-5-14(17)13(16)7-11/h4-5,7-9H,3,6,10,17H2,1-2H3
InChIKeySQJWMTZLTCGADS-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.86
Rot. Bonds5

About 2-[(4-amino-3-fluorophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one

2-[(4-amino-3-fluorophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one (PubChem CID 114393637) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[(4-amino-3-fluorophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[(4-amino-3-fluorophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
PubChem CID114393637
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name2-[(4-amino-3-fluorophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn(Cc2ccc(N)c(F)c2)c(=O)c1
InChIInChI=1S/C15H19FN4O/c1-3-6-19(2)12-8-15(21)20(18-9-12)10-11-4-5-14(17)13(16)7-11/h4-5,7-9H,3,6,10,17H2,1-2H3
InChIKeySQJWMTZLTCGADS-UHFFFAOYSA-N
XLogP1.86
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-fluorophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The IUPAC name of 2-[(4-amino-3-fluorophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one (CID 114393637) is 2-[(4-amino-3-fluorophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[(4-amino-3-fluorophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[(4-amino-3-fluorophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one is CCCN(C)c1cnn(Cc2ccc(N)c(F)c2)c(=O)c1.
What is the InChIKey of 2-[(4-amino-3-fluorophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The InChIKey is SQJWMTZLTCGADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-3-6-19(2)12-8-15(21)20(18-9-12)10-11-4-5-14(17)13(16)7-11/h4-5,7-9H,3,6,10,17H2,1-2H3.
What are the key properties of 2-[(4-amino-3-fluorophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one?
2-[(4-amino-3-fluorophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one has a molecular weight of 290.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-fluorophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one is sourced from PubChem (CID 114393637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).