4,5-dichloro-2-[(1R)-1-phenylethyl]pyridazin-3-one

C12H10Cl2N2O — CID 67981962

IUPAC4,5-dichloro-2-[(1R)-1-phenylethyl]pyridazin-3-one
SMILESC[C@H](c1ccccc1)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C12H10Cl2N2O/c1-8(9-5-3-2-4-6-9)16-12(17)11(14)10(13)7-15-16/h2-8H,1H3/t8-/m1/s1
InChIKeyAGJWVYBMKVXEIW-MRVPVSSYSA-N
MW269.13 g/mol
LogP3.16
Rot. Bonds2

About 4,5-dichloro-2-[(1R)-1-phenylethyl]pyridazin-3-one

4,5-dichloro-2-[(1R)-1-phenylethyl]pyridazin-3-one (PubChem CID 67981962) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 4,5-dichloro-2-[(1R)-1-phenylethyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[(1R)-1-phenylethyl]pyridazin-3-one
PubChem CID67981962
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name4,5-dichloro-2-[(1R)-1-phenylethyl]pyridazin-3-one
SMILESC[C@H](c1ccccc1)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C12H10Cl2N2O/c1-8(9-5-3-2-4-6-9)16-12(17)11(14)10(13)7-15-16/h2-8H,1H3/t8-/m1/s1
InChIKeyAGJWVYBMKVXEIW-MRVPVSSYSA-N
XLogP3.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[(1R)-1-phenylethyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[(1R)-1-phenylethyl]pyridazin-3-one (CID 67981962) is 4,5-dichloro-2-[(1R)-1-phenylethyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[(1R)-1-phenylethyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[(1R)-1-phenylethyl]pyridazin-3-one is C[C@H](c1ccccc1)n1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-[(1R)-1-phenylethyl]pyridazin-3-one?
The InChIKey is AGJWVYBMKVXEIW-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-8(9-5-3-2-4-6-9)16-12(17)11(14)10(13)7-15-16/h2-8H,1H3/t8-/m1/s1.
What are the key properties of 4,5-dichloro-2-[(1R)-1-phenylethyl]pyridazin-3-one?
4,5-dichloro-2-[(1R)-1-phenylethyl]pyridazin-3-one has a molecular weight of 269.13 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[(1R)-1-phenylethyl]pyridazin-3-one is sourced from PubChem (CID 67981962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).