4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one

C13H14ClN3O — CID 33286649

IUPAC4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one
SMILESCn1ncc(NCCc2ccccc2)c(Cl)c1=O
InChIInChI=1S/C13H14ClN3O/c1-17-13(18)12(14)11(9-16-17)15-8-7-10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3
InChIKeySILXLEMKCHMULO-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.09
Rot. Bonds4

About 4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one

4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one (PubChem CID 33286649) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one
PubChem CID33286649
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one
SMILESCn1ncc(NCCc2ccccc2)c(Cl)c1=O
InChIInChI=1S/C13H14ClN3O/c1-17-13(18)12(14)11(9-16-17)15-8-7-10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3
InChIKeySILXLEMKCHMULO-UHFFFAOYSA-N
XLogP2.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one (CID 33286649) is 4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one is Cn1ncc(NCCc2ccccc2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one?
The InChIKey is SILXLEMKCHMULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-17-13(18)12(14)11(9-16-17)15-8-7-10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3.
What are the key properties of 4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one?
4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one has a molecular weight of 263.73 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one is sourced from PubChem (CID 33286649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).