5-(2-aminoethoxy)-2-hexylpyridazin-3-one

C12H21N3O2 — CID 103222645

IUPAC5-(2-aminoethoxy)-2-hexylpyridazin-3-one
SMILESCCCCCCn1ncc(OCCN)cc1=O
InChIInChI=1S/C12H21N3O2/c1-2-3-4-5-7-15-12(16)9-11(10-14-15)17-8-6-13/h9-10H,2-8,13H2,1H3
InChIKeyRMFALAQKWGWLST-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.16
Rot. Bonds8

About 5-(2-aminoethoxy)-2-hexylpyridazin-3-one

5-(2-aminoethoxy)-2-hexylpyridazin-3-one (PubChem CID 103222645) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-hexylpyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-hexylpyridazin-3-one
PubChem CID103222645
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name5-(2-aminoethoxy)-2-hexylpyridazin-3-one
SMILESCCCCCCn1ncc(OCCN)cc1=O
InChIInChI=1S/C12H21N3O2/c1-2-3-4-5-7-15-12(16)9-11(10-14-15)17-8-6-13/h9-10H,2-8,13H2,1H3
InChIKeyRMFALAQKWGWLST-UHFFFAOYSA-N
XLogP1.16
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-2-hexylpyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-hexylpyridazin-3-one (CID 103222645) is 5-(2-aminoethoxy)-2-hexylpyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-hexylpyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-hexylpyridazin-3-one is CCCCCCn1ncc(OCCN)cc1=O.
What is the InChIKey of 5-(2-aminoethoxy)-2-hexylpyridazin-3-one?
The InChIKey is RMFALAQKWGWLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-3-4-5-7-15-12(16)9-11(10-14-15)17-8-6-13/h9-10H,2-8,13H2,1H3.
What are the key properties of 5-(2-aminoethoxy)-2-hexylpyridazin-3-one?
5-(2-aminoethoxy)-2-hexylpyridazin-3-one has a molecular weight of 239.32 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-hexylpyridazin-3-one is sourced from PubChem (CID 103222645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).