5-amino-4-chloro-2-phenylpyridazin-3-one

C10H8ClN3O — CID 15546

IUPAC5-amino-4-chloro-2-phenylpyridazin-3-one
SMILESNc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2
InChIKeyWYKYKTKDBLFHCY-UHFFFAOYSA-N
MW221.65 g/mol
LogP1.47
Rot. Bonds1

About 5-amino-4-chloro-2-phenylpyridazin-3-one

5-amino-4-chloro-2-phenylpyridazin-3-one (PubChem CID 15546) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 5-amino-4-chloro-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-amino-4-chloro-2-phenylpyridazin-3-one
PubChem CID15546
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name5-amino-4-chloro-2-phenylpyridazin-3-one
SMILESNc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2
InChIKeyWYKYKTKDBLFHCY-UHFFFAOYSA-N
XLogP1.47
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-chloro-2-phenylpyridazin-3-one?
The IUPAC name of 5-amino-4-chloro-2-phenylpyridazin-3-one (CID 15546) is 5-amino-4-chloro-2-phenylpyridazin-3-one.
What is the SMILES notation for 5-amino-4-chloro-2-phenylpyridazin-3-one?
The canonical SMILES for 5-amino-4-chloro-2-phenylpyridazin-3-one is Nc1cnn(-c2ccccc2)c(=O)c1Cl.
What is the InChIKey of 5-amino-4-chloro-2-phenylpyridazin-3-one?
The InChIKey is WYKYKTKDBLFHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2.
What are the key properties of 5-amino-4-chloro-2-phenylpyridazin-3-one?
5-amino-4-chloro-2-phenylpyridazin-3-one has a molecular weight of 221.65 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-chloro-2-phenylpyridazin-3-one is sourced from PubChem (CID 15546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).