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

C10H8ClN3O — CID 613445

IUPAC4-amino-5-chloro-2-phenylpyridazin-3-one
SMILESNc1c(Cl)cnn(-c2ccccc2)c1=O
InChIInChI=1S/C10H8ClN3O/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7/h1-6H,12H2
InChIKeyHAKJEHJYRKVCIU-UHFFFAOYSA-N
MW221.65 g/mol
LogP1.47
Rot. Bonds1

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

4-amino-5-chloro-2-phenylpyridazin-3-one (PubChem CID 613445) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 4-amino-5-chloro-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-5-chloro-2-phenylpyridazin-3-one
PubChem CID613445
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name4-amino-5-chloro-2-phenylpyridazin-3-one
SMILESNc1c(Cl)cnn(-c2ccccc2)c1=O
InChIInChI=1S/C10H8ClN3O/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7/h1-6H,12H2
InChIKeyHAKJEHJYRKVCIU-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 4-amino-5-chloro-2-phenylpyridazin-3-one?
The IUPAC name of 4-amino-5-chloro-2-phenylpyridazin-3-one (CID 613445) is 4-amino-5-chloro-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-amino-5-chloro-2-phenylpyridazin-3-one?
The canonical SMILES for 4-amino-5-chloro-2-phenylpyridazin-3-one is Nc1c(Cl)cnn(-c2ccccc2)c1=O.
What is the InChIKey of 4-amino-5-chloro-2-phenylpyridazin-3-one?
The InChIKey is HAKJEHJYRKVCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7/h1-6H,12H2.
What are the key properties of 4-amino-5-chloro-2-phenylpyridazin-3-one?
4-amino-5-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 4-amino-5-chloro-2-phenylpyridazin-3-one is sourced from PubChem (CID 613445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).