5-chloro-4-(2-phenylethylamino)-1H-pyridazin-6-one

C12H12ClN3O — CID 728310

IUPAC5-chloro-4-(2-phenylethylamino)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCCc2ccccc2)c1Cl
InChIInChI=1S/C12H12ClN3O/c13-11-10(8-15-16-12(11)17)14-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,16,17)
InChIKeyZJVSMNUQLFPGLA-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.08
Rot. Bonds4

About 5-chloro-4-(2-phenylethylamino)-1H-pyridazin-6-one

5-chloro-4-(2-phenylethylamino)-1H-pyridazin-6-one (PubChem CID 728310) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 5-chloro-4-(2-phenylethylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-phenylethylamino)-1H-pyridazin-6-one
PubChem CID728310
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name5-chloro-4-(2-phenylethylamino)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCCc2ccccc2)c1Cl
InChIInChI=1S/C12H12ClN3O/c13-11-10(8-15-16-12(11)17)14-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,16,17)
InChIKeyZJVSMNUQLFPGLA-UHFFFAOYSA-N
XLogP2.08
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[((1E)-2-phenyl-1-azavinyl)amino]-4-chloro-2-hydropyridazin-3-one
CID 9569641
5-(4-benzyl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone
CID 734445
4-chloro-5-[(4-chlorobenzyl)amino]-3(2H)-pyridazinone
CID 734447
5-{[(1Z)-2-(4-methylphenyl)-1-azavinyl]amino}-4-chloro-2-hydropyridazin-3-one
CID 6394619
4-Chloro-2-methyl-5-{[(4-methylphenyl)methyl]amino}-2,3-dihydropyridazin-3-one
CID 33287080
2,4-Dimethyl-5-[(2-methylphenyl)methylamino]pyridazin-3-one
CID 156017982
4-Chloro-5-((3-phenylpropyl)amino)pyridazin-3(2h)-one
CID 8026192
5-(Benzylamino)-4-chloro-2-methyl-2,3-dihydropyridazin-3-one
CID 13169715
2-Tert-butyl-5-[(4-tert-butylphenyl)methylamino]-4-chloropyridazin-3-one
CID 24864464
4-Chloro-2-methyl-5-{[(2-methylphenyl)methyl]amino}-2,3-dihydropyridazin-3-one
CID 33323919
4-Chloro-2-methyl-5-[(3-methylphenyl)methylamino]pyridazin-3-one
CID 37929328
5-(Benzylamino)-2,4-dimethylpyridazin-3-one
CID 156021267

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-phenylethylamino)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-(2-phenylethylamino)-1H-pyridazin-6-one (CID 728310) is 5-chloro-4-(2-phenylethylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-(2-phenylethylamino)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-(2-phenylethylamino)-1H-pyridazin-6-one is O=c1[nH]ncc(NCCc2ccccc2)c1Cl.
What is the InChIKey of 5-chloro-4-(2-phenylethylamino)-1H-pyridazin-6-one?
The InChIKey is ZJVSMNUQLFPGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-11-10(8-15-16-12(11)17)14-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,16,17).
What are the key properties of 5-chloro-4-(2-phenylethylamino)-1H-pyridazin-6-one?
5-chloro-4-(2-phenylethylamino)-1H-pyridazin-6-one has a molecular weight of 249.70 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-phenylethylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 728310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).