4-chloro-5-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylpyridazin-3-one

C15H15ClF2N4O — CID 71861488

IUPAC4-chloro-5-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(c3cc(F)ccc3F)CC2)c(Cl)c1=O
InChIInChI=1S/C15H15ClF2N4O/c1-20-15(23)14(16)13(9-19-20)22-6-4-21(5-7-22)12-8-10(17)2-3-11(12)18/h2-3,8-9H,4-7H2,1H3
InChIKeyVPFLKSWUDWFJHL-UHFFFAOYSA-N
MW340.76 g/mol
LogP2.04
Rot. Bonds2

About 4-chloro-5-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylpyridazin-3-one

4-chloro-5-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 71861488) has the molecular formula C15H15ClF2N4O and a molecular weight of 340.76 g/mol. Its IUPAC name is 4-chloro-5-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID71861488
Molecular FormulaC15H15ClF2N4O
Molecular Weight340.76 g/mol
Exact Mass340.09
IUPAC Name4-chloro-5-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(c3cc(F)ccc3F)CC2)c(Cl)c1=O
InChIInChI=1S/C15H15ClF2N4O/c1-20-15(23)14(16)13(9-19-20)22-6-4-21(5-7-22)12-8-10(17)2-3-11(12)18/h2-3,8-9H,4-7H2,1H3
InChIKeyVPFLKSWUDWFJHL-UHFFFAOYSA-N
XLogP2.04
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.76
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylpyridazin-3-one (CID 71861488) is 4-chloro-5-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylpyridazin-3-one is Cn1ncc(N2CCN(c3cc(F)ccc3F)CC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is VPFLKSWUDWFJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF2N4O/c1-20-15(23)14(16)13(9-19-20)22-6-4-21(5-7-22)12-8-10(17)2-3-11(12)18/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 4-chloro-5-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylpyridazin-3-one?
4-chloro-5-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 340.76 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 71861488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).