5-chloro-4-(3-phenylbutylamino)-1H-pyridazin-6-one

C14H16ClN3O — CID 78990669

IUPAC5-chloro-4-(3-phenylbutylamino)-1H-pyridazin-6-one
SMILESCC(CCNc1cn[nH]c(=O)c1Cl)c1ccccc1
InChIInChI=1S/C14H16ClN3O/c1-10(11-5-3-2-4-6-11)7-8-16-12-9-17-18-14(19)13(12)15/h2-6,9-10H,7-8H2,1H3,(H2,16,18,19)
InChIKeyAOASIRJSVOEUJU-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.03
Rot. Bonds5

About 5-chloro-4-(3-phenylbutylamino)-1H-pyridazin-6-one

5-chloro-4-(3-phenylbutylamino)-1H-pyridazin-6-one (PubChem CID 78990669) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 5-chloro-4-(3-phenylbutylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-(3-phenylbutylamino)-1H-pyridazin-6-one
PubChem CID78990669
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name5-chloro-4-(3-phenylbutylamino)-1H-pyridazin-6-one
SMILESCC(CCNc1cn[nH]c(=O)c1Cl)c1ccccc1
InChIInChI=1S/C14H16ClN3O/c1-10(11-5-3-2-4-6-11)7-8-16-12-9-17-18-14(19)13(12)15/h2-6,9-10H,7-8H2,1H3,(H2,16,18,19)
InChIKeyAOASIRJSVOEUJU-UHFFFAOYSA-N
XLogP3.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-amino-2-phenylethyl)amino]-5-chloro-1H-pyridazin-6-one
CID 80747062
5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one
CID 78970910
5-chloro-4-[2-(2-methylpropoxy)ethylamino]-1H-pyridazin-6-one
CID 115586247
5-chloro-4-(3-methylsulfinylpropylamino)-1H-pyridazin-6-one
CID 115631406
5-chloro-4-(2,3,3-trimethylbutylamino)-1H-pyridazin-6-one
CID 78966968
4-(2-tert-butylsulfanylethylamino)-5-chloro-1H-pyridazin-6-one
CID 133275925
2,6-dichloro-N-(3-phenylbutyl)aniline
CID 65469702
5-chloro-4-[2-(3-methylphenyl)ethylamino]-1H-pyridazin-6-one
CID 78989356
4-(but-3-ynylamino)-5-chloro-1H-pyridazin-6-one
CID 78959225
5-chloro-4-(3,3,3-trifluoropropylamino)-1H-pyridazin-6-one
CID 79033828
5-chloro-4-(4-hydroxybutylamino)-1H-pyridazin-6-one
CID 106842784
2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 114175492

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-phenylbutylamino)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-(3-phenylbutylamino)-1H-pyridazin-6-one (CID 78990669) is 5-chloro-4-(3-phenylbutylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-(3-phenylbutylamino)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-(3-phenylbutylamino)-1H-pyridazin-6-one is CC(CCNc1cn[nH]c(=O)c1Cl)c1ccccc1.
What is the InChIKey of 5-chloro-4-(3-phenylbutylamino)-1H-pyridazin-6-one?
The InChIKey is AOASIRJSVOEUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-10(11-5-3-2-4-6-11)7-8-16-12-9-17-18-14(19)13(12)15/h2-6,9-10H,7-8H2,1H3,(H2,16,18,19).
What are the key properties of 5-chloro-4-(3-phenylbutylamino)-1H-pyridazin-6-one?
5-chloro-4-(3-phenylbutylamino)-1H-pyridazin-6-one has a molecular weight of 277.75 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-phenylbutylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 78990669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).