5-amino-2-heptylpyridazin-3-one

C11H19N3O — CID 103218166

IUPAC5-amino-2-heptylpyridazin-3-one
SMILESCCCCCCCn1ncc(N)cc1=O
InChIInChI=1S/C11H19N3O/c1-2-3-4-5-6-7-14-11(15)8-10(12)9-13-14/h8-9H,2-7,12H2,1H3
InChIKeyGOXXTBVVRMSNBA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.80
Rot. Bonds6

About 5-amino-2-heptylpyridazin-3-one

5-amino-2-heptylpyridazin-3-one (PubChem CID 103218166) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-amino-2-heptylpyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-heptylpyridazin-3-one
PubChem CID103218166
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-amino-2-heptylpyridazin-3-one
SMILESCCCCCCCn1ncc(N)cc1=O
InChIInChI=1S/C11H19N3O/c1-2-3-4-5-6-7-14-11(15)8-10(12)9-13-14/h8-9H,2-7,12H2,1H3
InChIKeyGOXXTBVVRMSNBA-UHFFFAOYSA-N
XLogP1.80
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.80
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

5-Amino-2-propan-2-ylpyridazin-3-one
CID 20513821
N-(1-methyl-6-oxopyridazin-4-yl)propanamide
CID 170387108
2-(5-Aminohexyl)pyridazin-3-one
CID 62850673
5-(dimethylamino)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3(2H)-one
CID 72844544
5-(Dimethylamino)-2-(2-ethylhexyl)pyridazin-3-one
CID 72853311
5-(dimethylamino)-2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyridazin-3-one
CID 97188203
5-(dimethylamino)-2-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridazin-3-one
CID 97188204
5-Amino-2-nonylpyridazin-3-one
CID 103218165
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-heptylpyridazin-3-one?
The IUPAC name of 5-amino-2-heptylpyridazin-3-one (CID 103218166) is 5-amino-2-heptylpyridazin-3-one.
What is the SMILES notation for 5-amino-2-heptylpyridazin-3-one?
The canonical SMILES for 5-amino-2-heptylpyridazin-3-one is CCCCCCCn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-heptylpyridazin-3-one?
The InChIKey is GOXXTBVVRMSNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-3-4-5-6-7-14-11(15)8-10(12)9-13-14/h8-9H,2-7,12H2,1H3.
What are the key properties of 5-amino-2-heptylpyridazin-3-one?
5-amino-2-heptylpyridazin-3-one has a molecular weight of 209.29 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-heptylpyridazin-3-one is sourced from PubChem (CID 103218166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).