4-chloro-2-methyl-5-[(1-phenylsulfanylcyclopropyl)methylamino]pyridazin-3-one

C15H16ClN3OS — CID 133296913

IUPAC4-chloro-2-methyl-5-[(1-phenylsulfanylcyclopropyl)methylamino]pyridazin-3-one
SMILESCn1ncc(NCC2(Sc3ccccc3)CC2)c(Cl)c1=O
InChIInChI=1S/C15H16ClN3OS/c1-19-14(20)13(16)12(9-18-19)17-10-15(7-8-15)21-11-5-3-2-4-6-11/h2-6,9,17H,7-8,10H2,1H3
InChIKeyZAIHXPCMBZWSCS-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.17
Rot. Bonds5

About 4-chloro-2-methyl-5-[(1-phenylsulfanylcyclopropyl)methylamino]pyridazin-3-one

4-chloro-2-methyl-5-[(1-phenylsulfanylcyclopropyl)methylamino]pyridazin-3-one (PubChem CID 133296913) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[(1-phenylsulfanylcyclopropyl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[(1-phenylsulfanylcyclopropyl)methylamino]pyridazin-3-one
PubChem CID133296913
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name4-chloro-2-methyl-5-[(1-phenylsulfanylcyclopropyl)methylamino]pyridazin-3-one
SMILESCn1ncc(NCC2(Sc3ccccc3)CC2)c(Cl)c1=O
InChIInChI=1S/C15H16ClN3OS/c1-19-14(20)13(16)12(9-18-19)17-10-15(7-8-15)21-11-5-3-2-4-6-11/h2-6,9,17H,7-8,10H2,1H3
InChIKeyZAIHXPCMBZWSCS-UHFFFAOYSA-N
XLogP3.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-methyl-5-[(2-methyl-2-phenylpropyl)amino]pyridazin-3-one
CID 47174554
4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one
CID 33286649
4-chloro-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one
CID 133344208
4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one
CID 115644108
5-[[1-(3-bromophenyl)cyclobutyl]methylamino]-4-chloro-2-methylpyridazin-3-one
CID 133271607
4-bromo-2-methyl-5-[(1-methylsulfanylcyclopropyl)methylamino]pyridazin-3-one
CID 107268999
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
4-chloro-5-[[1-(hydroxymethyl)cyclopentyl]amino]-2-methylpyridazin-3-one
CID 115682887
4-chloro-5-[(2-methoxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 33286975
5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-methylpyridazin-3-one
CID 114444517
5-[(1-benzylimidazol-2-yl)methylamino]-4-chloro-2-methylpyridazin-3-one
CID 133324149
4-chloro-2-methyl-5-[(1-methylcyclopentyl)amino]pyridazin-3-one
CID 115624676

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[(1-phenylsulfanylcyclopropyl)methylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[(1-phenylsulfanylcyclopropyl)methylamino]pyridazin-3-one (CID 133296913) is 4-chloro-2-methyl-5-[(1-phenylsulfanylcyclopropyl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[(1-phenylsulfanylcyclopropyl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[(1-phenylsulfanylcyclopropyl)methylamino]pyridazin-3-one is Cn1ncc(NCC2(Sc3ccccc3)CC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-[(1-phenylsulfanylcyclopropyl)methylamino]pyridazin-3-one?
The InChIKey is ZAIHXPCMBZWSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-19-14(20)13(16)12(9-18-19)17-10-15(7-8-15)21-11-5-3-2-4-6-11/h2-6,9,17H,7-8,10H2,1H3.
What are the key properties of 4-chloro-2-methyl-5-[(1-phenylsulfanylcyclopropyl)methylamino]pyridazin-3-one?
4-chloro-2-methyl-5-[(1-phenylsulfanylcyclopropyl)methylamino]pyridazin-3-one has a molecular weight of 321.83 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[(1-phenylsulfanylcyclopropyl)methylamino]pyridazin-3-one is sourced from PubChem (CID 133296913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).