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

C13H23N3O2 — CID 103222644

IUPAC5-(2-aminoethoxy)-2-heptylpyridazin-3-one
SMILESCCCCCCCn1ncc(OCCN)cc1=O
InChIInChI=1S/C13H23N3O2/c1-2-3-4-5-6-8-16-13(17)10-12(11-15-16)18-9-7-14/h10-11H,2-9,14H2,1H3
InChIKeyNXSMIXOEFFBPMH-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.55
Rot. Bonds9

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

5-(2-aminoethoxy)-2-heptylpyridazin-3-one (PubChem CID 103222644) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-heptylpyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-heptylpyridazin-3-one
PubChem CID103222644
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name5-(2-aminoethoxy)-2-heptylpyridazin-3-one
SMILESCCCCCCCn1ncc(OCCN)cc1=O
InChIInChI=1S/C13H23N3O2/c1-2-3-4-5-6-8-16-13(17)10-12(11-15-16)18-9-7-14/h10-11H,2-9,14H2,1H3
InChIKeyNXSMIXOEFFBPMH-UHFFFAOYSA-N
XLogP1.55
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.55
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-heptylpyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-heptylpyridazin-3-one (CID 103222644) is 5-(2-aminoethoxy)-2-heptylpyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-heptylpyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-heptylpyridazin-3-one is CCCCCCCn1ncc(OCCN)cc1=O.
What is the InChIKey of 5-(2-aminoethoxy)-2-heptylpyridazin-3-one?
The InChIKey is NXSMIXOEFFBPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-2-3-4-5-6-8-16-13(17)10-12(11-15-16)18-9-7-14/h10-11H,2-9,14H2,1H3.
What are the key properties of 5-(2-aminoethoxy)-2-heptylpyridazin-3-one?
5-(2-aminoethoxy)-2-heptylpyridazin-3-one has a molecular weight of 253.35 g/mol, XLogP of 1.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-heptylpyridazin-3-one is sourced from PubChem (CID 103222644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).