5-amino-2-nonylpyridazin-3-one

C13H23N3O — CID 103218165

IUPAC5-amino-2-nonylpyridazin-3-one
SMILESCCCCCCCCCn1ncc(N)cc1=O
InChIInChI=1S/C13H23N3O/c1-2-3-4-5-6-7-8-9-16-13(17)10-12(14)11-15-16/h10-11H,2-9,14H2,1H3
InChIKeyJGGYALKMPZTBCI-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.58
Rot. Bonds8

About 5-amino-2-nonylpyridazin-3-one

5-amino-2-nonylpyridazin-3-one (PubChem CID 103218165) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-amino-2-nonylpyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-nonylpyridazin-3-one
PubChem CID103218165
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-amino-2-nonylpyridazin-3-one
SMILESCCCCCCCCCn1ncc(N)cc1=O
InChIInChI=1S/C13H23N3O/c1-2-3-4-5-6-7-8-9-16-13(17)10-12(14)11-15-16/h10-11H,2-9,14H2,1H3
InChIKeyJGGYALKMPZTBCI-UHFFFAOYSA-N
XLogP2.58
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-methyl-6-oxopyridazin-4-yl)propanamide
CID 170387108
5-(Dimethylamino)-2-(2-ethylhexyl)pyridazin-3-one
CID 72853311
5-Amino-2-heptylpyridazin-3-one
CID 103218166
5-Amino-2-hexylpyridazin-3-one
CID 103218167
5-Amino-2-(2-methylpropyl)pyridazin-3-one
CID 103218168
5-Amino-2-(cyclohexylmethyl)pyridazin-3-one
CID 103218173
5-Amino-2-dodecylpyridazin-3-one
CID 103218182
5-Amino-2-pent-3-ynylpyridazin-3-one
CID 103218205
5-Amino-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 103218206
5-Amino-2-octylpyridazin-3-one
CID 103218208
5-Amino-2-propylpyridazin-3-one
CID 103218210
5-Amino-2-(2-methylbutyl)pyridazin-3-one
CID 103218224

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-nonylpyridazin-3-one?
The IUPAC name of 5-amino-2-nonylpyridazin-3-one (CID 103218165) is 5-amino-2-nonylpyridazin-3-one.
What is the SMILES notation for 5-amino-2-nonylpyridazin-3-one?
The canonical SMILES for 5-amino-2-nonylpyridazin-3-one is CCCCCCCCCn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-nonylpyridazin-3-one?
The InChIKey is JGGYALKMPZTBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-3-4-5-6-7-8-9-16-13(17)10-12(14)11-15-16/h10-11H,2-9,14H2,1H3.
What are the key properties of 5-amino-2-nonylpyridazin-3-one?
5-amino-2-nonylpyridazin-3-one has a molecular weight of 237.35 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-nonylpyridazin-3-one is sourced from PubChem (CID 103218165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).