4-amino-2-(4-chlorophenyl)pyridazin-3-one

C10H8ClN3O — CID 164662680

IUPAC4-amino-2-(4-chlorophenyl)pyridazin-3-one
SMILESNc1ccnn(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C10H8ClN3O/c11-7-1-3-8(4-2-7)14-10(15)9(12)5-6-13-14/h1-6H,12H2
InChIKeyHUVJXSRRNQQNSR-UHFFFAOYSA-N
MW221.65 g/mol
LogP1.47
Rot. Bonds1

About 4-amino-2-(4-chlorophenyl)pyridazin-3-one

4-amino-2-(4-chlorophenyl)pyridazin-3-one (PubChem CID 164662680) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 4-amino-2-(4-chlorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-amino-2-(4-chlorophenyl)pyridazin-3-one
PubChem CID164662680
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name4-amino-2-(4-chlorophenyl)pyridazin-3-one
SMILESNc1ccnn(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C10H8ClN3O/c11-7-1-3-8(4-2-7)14-10(15)9(12)5-6-13-14/h1-6H,12H2
InChIKeyHUVJXSRRNQQNSR-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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Related Compounds

1-(4-chlorophenyl)pyrazole-4,5-diamine;sulfuric acid
CID 69435361
4-bromo-2-(4-chlorophenyl)-5-methylpyridazin-3-one
CID 13187394
5-amino-2-(4-chlorophenyl)-4-[4-(2-hydroxyphenyl)phenoxy]pyridazin-3-one
CID 71103286
1-[4-[2-(4-chlorophenyl)pyrazol-3-yl]phenyl]-3,3-dimethylazetidin-2-one
CID 1486822
4-amino-2-(4-chlorophenyl)-1H-pyrazol-3-one
CID 83884734
5-(aminomethyl)-3-(4-chlorophenyl)-1,3,4-oxadiazol-2-one
CID 83823408
2-[2-(4-chlorophenyl)pyrazol-3-yl]pyridine
CID 56956135
1-(4-chlorophenyl)-5-(1,1-dimethoxyethyl)pyrazole
CID 91348114
2-[5-amino-1-(4-chlorophenyl)pyrazol-4-yl]acetic acid
CID 115069490
1-(4-chlorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-amine
CID 83868838
5-chloro-4-(4-chlorophenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one
CID 46172932
5-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
CID 71883492

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-chlorophenyl)pyridazin-3-one?
The IUPAC name of 4-amino-2-(4-chlorophenyl)pyridazin-3-one (CID 164662680) is 4-amino-2-(4-chlorophenyl)pyridazin-3-one.
What is the SMILES notation for 4-amino-2-(4-chlorophenyl)pyridazin-3-one?
The canonical SMILES for 4-amino-2-(4-chlorophenyl)pyridazin-3-one is Nc1ccnn(-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 4-amino-2-(4-chlorophenyl)pyridazin-3-one?
The InChIKey is HUVJXSRRNQQNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-7-1-3-8(4-2-7)14-10(15)9(12)5-6-13-14/h1-6H,12H2.
What are the key properties of 4-amino-2-(4-chlorophenyl)pyridazin-3-one?
4-amino-2-(4-chlorophenyl)pyridazin-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-2-(4-chlorophenyl)pyridazin-3-one is sourced from PubChem (CID 164662680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).