5-(3-aminopropoxy)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one

C14H15F2N3O2 — CID 103223131

IUPAC5-(3-aminopropoxy)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one
SMILESNCCCOc1cnn(Cc2cc(F)ccc2F)c(=O)c1
InChIInChI=1S/C14H15F2N3O2/c15-11-2-3-13(16)10(6-11)9-19-14(20)7-12(8-18-19)21-5-1-4-17/h2-3,6-8H,1,4-5,9,17H2
InChIKeyQEFBYHMVVFSPHS-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.30
Rot. Bonds6

About 5-(3-aminopropoxy)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one

5-(3-aminopropoxy)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one (PubChem CID 103223131) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is 5-(3-aminopropoxy)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(3-aminopropoxy)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one
PubChem CID103223131
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name5-(3-aminopropoxy)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one
SMILESNCCCOc1cnn(Cc2cc(F)ccc2F)c(=O)c1
InChIInChI=1S/C14H15F2N3O2/c15-11-2-3-13(16)10(6-11)9-19-14(20)7-12(8-18-19)21-5-1-4-17/h2-3,6-8H,1,4-5,9,17H2
InChIKeyQEFBYHMVVFSPHS-UHFFFAOYSA-N
XLogP1.30
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminopropoxy)-2-[(2-bromo-4-fluorophenyl)methyl]pyridazin-3-one
CID 103223296
5-(3-aminopropoxy)-2-[(4-bromo-2-fluorophenyl)methyl]pyridazin-3-one
CID 103223196
5-(3-aminopropoxy)-2-[(3-chloro-4-pyridinyl)methyl]pyridazin-3-one
CID 103223127
5-(2-aminoethoxy)-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 103222846
5-(3-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one
CID 103223290
5-(3-aminopropoxy)-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one
CID 103223183
2-[(2,5-difluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218479
5-(3-aminopropoxy)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103223128
5-(cyclobutylamino)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one
CID 103220440
5-(3-aminopropoxy)-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 103223238
5-(2-aminopropoxy)-2-[(2-chloro-4-fluorophenyl)methyl]pyridazin-3-one
CID 103222984
5-(2-aminoethoxy)-2-[(3-chlorophenyl)methyl]pyridazin-3-one
CID 103222750

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropoxy)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 5-(3-aminopropoxy)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one (CID 103223131) is 5-(3-aminopropoxy)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(3-aminopropoxy)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(3-aminopropoxy)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one is NCCCOc1cnn(Cc2cc(F)ccc2F)c(=O)c1.
What is the InChIKey of 5-(3-aminopropoxy)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one?
The InChIKey is QEFBYHMVVFSPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c15-11-2-3-13(16)10(6-11)9-19-14(20)7-12(8-18-19)21-5-1-4-17/h2-3,6-8H,1,4-5,9,17H2.
What are the key properties of 5-(3-aminopropoxy)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one?
5-(3-aminopropoxy)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one has a molecular weight of 295.29 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropoxy)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 103223131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).