4-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylamino]-2-methylpyridazin-3-one

C18H24FN5O — CID 19817590

IUPAC4-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylamino]-2-methylpyridazin-3-one
SMILESCn1nccc(NCCCN2CCN(c3ccc(F)cc3)CC2)c1=O
InChIInChI=1S/C18H24FN5O/c1-22-18(25)17(7-9-21-22)20-8-2-10-23-11-13-24(14-12-23)16-5-3-15(19)4-6-16/h3-7,9,20H,2,8,10-14H2,1H3
InChIKeyHGZWOOFTCLBHOB-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.54
Rot. Bonds6

About 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylamino]-2-methylpyridazin-3-one

4-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylamino]-2-methylpyridazin-3-one (PubChem CID 19817590) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylamino]-2-methylpyridazin-3-one
PubChem CID19817590
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC Name4-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylamino]-2-methylpyridazin-3-one
SMILESCn1nccc(NCCCN2CCN(c3ccc(F)cc3)CC2)c1=O
InChIInChI=1S/C18H24FN5O/c1-22-18(25)17(7-9-21-22)20-8-2-10-23-11-13-24(14-12-23)16-5-3-15(19)4-6-16/h3-7,9,20H,2,8,10-14H2,1H3
InChIKeyHGZWOOFTCLBHOB-UHFFFAOYSA-N
XLogP1.54
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.54
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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Related Compounds

4-bromo-5-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylamino]-2-methylpyridazin-3-one
CID 133303042
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 29401175
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydroquinolin-4-amine
CID 139801667
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxy-2-methylbenzenesulfonamide
CID 42389539
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide
CID 42266574
N'-cyclopropyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390559
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3,4-dimethylbenzenesulfonamide
CID 42389477
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 42389503
4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224820
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(4-methylphenyl)oxamide
CID 42390454
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea
CID 20924472
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide
CID 42224986

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylamino]-2-methylpyridazin-3-one (CID 19817590) is 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylamino]-2-methylpyridazin-3-one is Cn1nccc(NCCCN2CCN(c3ccc(F)cc3)CC2)c1=O.
What is the InChIKey of 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylamino]-2-methylpyridazin-3-one?
The InChIKey is HGZWOOFTCLBHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-22-18(25)17(7-9-21-22)20-8-2-10-23-11-13-24(14-12-23)16-5-3-15(19)4-6-16/h3-7,9,20H,2,8,10-14H2,1H3.
What are the key properties of 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylamino]-2-methylpyridazin-3-one?
4-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylamino]-2-methylpyridazin-3-one has a molecular weight of 345.42 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 19817590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).