5-amino-2-dodecylpyridazin-3-one

C16H29N3O — CID 103218182

IUPAC5-amino-2-dodecylpyridazin-3-one
SMILESCCCCCCCCCCCCn1ncc(N)cc1=O
InChIInChI=1S/C16H29N3O/c1-2-3-4-5-6-7-8-9-10-11-12-19-16(20)13-15(17)14-18-19/h13-14H,2-12,17H2,1H3
InChIKeyDYOGTFSAOCNSMO-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.75
Rot. Bonds11

About 5-amino-2-dodecylpyridazin-3-one

5-amino-2-dodecylpyridazin-3-one (PubChem CID 103218182) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 5-amino-2-dodecylpyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-dodecylpyridazin-3-one
PubChem CID103218182
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name5-amino-2-dodecylpyridazin-3-one
SMILESCCCCCCCCCCCCn1ncc(N)cc1=O
InChIInChI=1S/C16H29N3O/c1-2-3-4-5-6-7-8-9-10-11-12-19-16(20)13-15(17)14-18-19/h13-14H,2-12,17H2,1H3
InChIKeyDYOGTFSAOCNSMO-UHFFFAOYSA-N
XLogP3.75
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.75
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-nonylpyridazin-3-one
CID 103218165
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-[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
5-Amino-2-(3-methylbutyl)pyridazin-3-one
CID 103218247
5-Amino-2-decylpyridazin-3-one
CID 103218251
5-Amino-2-butylpyridazin-3-one
CID 103218271

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-dodecylpyridazin-3-one?
The IUPAC name of 5-amino-2-dodecylpyridazin-3-one (CID 103218182) is 5-amino-2-dodecylpyridazin-3-one.
What is the SMILES notation for 5-amino-2-dodecylpyridazin-3-one?
The canonical SMILES for 5-amino-2-dodecylpyridazin-3-one is CCCCCCCCCCCCn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-dodecylpyridazin-3-one?
The InChIKey is DYOGTFSAOCNSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-2-3-4-5-6-7-8-9-10-11-12-19-16(20)13-15(17)14-18-19/h13-14H,2-12,17H2,1H3.
What are the key properties of 5-amino-2-dodecylpyridazin-3-one?
5-amino-2-dodecylpyridazin-3-one has a molecular weight of 279.43 g/mol, XLogP of 3.75, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-dodecylpyridazin-3-one is sourced from PubChem (CID 103218182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).