5-amino-2-(cyclohexylmethyl)pyridazin-3-one

C11H17N3O — CID 103218173

IUPAC5-amino-2-(cyclohexylmethyl)pyridazin-3-one
SMILESNc1cnn(CC2CCCCC2)c(=O)c1
InChIInChI=1S/C11H17N3O/c12-10-6-11(15)14(13-7-10)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8,12H2
InChIKeyKGYFFWXGCSJYEI-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.41
Rot. Bonds2

About 5-amino-2-(cyclohexylmethyl)pyridazin-3-one

5-amino-2-(cyclohexylmethyl)pyridazin-3-one (PubChem CID 103218173) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-amino-2-(cyclohexylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-(cyclohexylmethyl)pyridazin-3-one
PubChem CID103218173
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-amino-2-(cyclohexylmethyl)pyridazin-3-one
SMILESNc1cnn(CC2CCCCC2)c(=O)c1
InChIInChI=1S/C11H17N3O/c12-10-6-11(15)14(13-7-10)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8,12H2
InChIKeyKGYFFWXGCSJYEI-UHFFFAOYSA-N
XLogP1.41
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Propylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
CID 53353779
5-Methylamino-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
CID 53353686
5-[4-(aminomethyl)piperidin-1-yl]-2-(cyclobutylmethyl)pyridazin-3(2H)-one
CID 72900645
2-[(3,3-Difluorocyclohexyl)methyl]-5-(methylamino)pyridazin-3-one
CID 114226080
5-[4-(aminomethyl)-1-piperidinyl]-2-pentyl-3(2H)-pyridazinone trifluoroacetate
CID 28311411
5-(Dimethylamino)-2-(2-ethylhexyl)pyridazin-3-one
CID 72853311
2-(2-Adamantyl)-5-aminopyridazin-3-one
CID 84092312
5-Amino-2-nonylpyridazin-3-one
CID 103218165
5-Amino-2-heptylpyridazin-3-one
CID 103218166
5-Amino-2-hexylpyridazin-3-one
CID 103218167
5-Amino-2-dodecylpyridazin-3-one
CID 103218182
5-Amino-2-octylpyridazin-3-one
CID 103218208

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(cyclohexylmethyl)pyridazin-3-one?
The IUPAC name of 5-amino-2-(cyclohexylmethyl)pyridazin-3-one (CID 103218173) is 5-amino-2-(cyclohexylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-amino-2-(cyclohexylmethyl)pyridazin-3-one?
The canonical SMILES for 5-amino-2-(cyclohexylmethyl)pyridazin-3-one is Nc1cnn(CC2CCCCC2)c(=O)c1.
What is the InChIKey of 5-amino-2-(cyclohexylmethyl)pyridazin-3-one?
The InChIKey is KGYFFWXGCSJYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-10-6-11(15)14(13-7-10)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8,12H2.
What are the key properties of 5-amino-2-(cyclohexylmethyl)pyridazin-3-one?
5-amino-2-(cyclohexylmethyl)pyridazin-3-one has a molecular weight of 207.28 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(cyclohexylmethyl)pyridazin-3-one is sourced from PubChem (CID 103218173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).