4,5-dichloro-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]pyridazin-3-one

C16H17Cl2FN4O — CID 39740152

IUPAC4,5-dichloro-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CN1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C16H17Cl2FN4O/c17-13-9-20-23(16(24)15(13)18)11-22-7-5-21(6-8-22)10-12-3-1-2-4-14(12)19/h1-4,9H,5-8,10-11H2
InChIKeyMDWQLZZPLRZXKS-UHFFFAOYSA-N
MW371.24 g/mol
LogP2.46
Rot. Bonds4

About 4,5-dichloro-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]pyridazin-3-one

4,5-dichloro-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]pyridazin-3-one (PubChem CID 39740152) has the molecular formula C16H17Cl2FN4O and a molecular weight of 371.24 g/mol. Its IUPAC name is 4,5-dichloro-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]pyridazin-3-one
PubChem CID39740152
Molecular FormulaC16H17Cl2FN4O
Molecular Weight371.24 g/mol
Exact Mass370.08
IUPAC Name4,5-dichloro-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CN1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C16H17Cl2FN4O/c17-13-9-20-23(16(24)15(13)18)11-22-7-5-21(6-8-22)10-12-3-1-2-4-14(12)19/h1-4,9H,5-8,10-11H2
InChIKeyMDWQLZZPLRZXKS-UHFFFAOYSA-N
XLogP2.46
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]pyridazin-3-one (CID 39740152) is 4,5-dichloro-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1CN1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 4,5-dichloro-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]pyridazin-3-one?
The InChIKey is MDWQLZZPLRZXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2FN4O/c17-13-9-20-23(16(24)15(13)18)11-22-7-5-21(6-8-22)10-12-3-1-2-4-14(12)19/h1-4,9H,5-8,10-11H2.
What are the key properties of 4,5-dichloro-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]pyridazin-3-one?
4,5-dichloro-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]pyridazin-3-one has a molecular weight of 371.24 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 39740152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).