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

C13H23N3O2 — CID 103222896

IUPAC5-(2-aminopropoxy)-2-hexylpyridazin-3-one
SMILESCCCCCCn1ncc(OCC(C)N)cc1=O
InChIInChI=1S/C13H23N3O2/c1-3-4-5-6-7-16-13(17)8-12(9-15-16)18-10-11(2)14/h8-9,11H,3-7,10,14H2,1-2H3
InChIKeyYGJNMVRFHMPGPD-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.55
Rot. Bonds8

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

5-(2-aminopropoxy)-2-hexylpyridazin-3-one (PubChem CID 103222896) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-(2-aminopropoxy)-2-hexylpyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminopropoxy)-2-hexylpyridazin-3-one
PubChem CID103222896
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name5-(2-aminopropoxy)-2-hexylpyridazin-3-one
SMILESCCCCCCn1ncc(OCC(C)N)cc1=O
InChIInChI=1S/C13H23N3O2/c1-3-4-5-6-7-16-13(17)8-12(9-15-16)18-10-11(2)14/h8-9,11H,3-7,10,14H2,1-2H3
InChIKeyYGJNMVRFHMPGPD-UHFFFAOYSA-N
XLogP1.55
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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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Related Compounds

5-(2-Aminopropoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103223073
5-(2-Aminopropoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103223090
5-(2-Aminoethoxy)-2-nonylpyridazin-3-one
CID 103222643
5-(2-Aminoethoxy)-2-heptylpyridazin-3-one
CID 103222644
5-(2-Aminoethoxy)-2-hexylpyridazin-3-one
CID 103222645
5-(2-Aminoethoxy)-2-(2-methylpropyl)pyridazin-3-one
CID 103222646
5-(2-Aminoethoxy)-2-(cyclohexylmethyl)pyridazin-3-one
CID 103222650
5-(2-Aminoethoxy)-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one
CID 103222669
5-(2-Aminoethoxy)-2-(4-methoxybutyl)pyridazin-3-one
CID 103222678
5-(2-Aminoethoxy)-2-pent-3-ynylpyridazin-3-one
CID 103222679
5-(2-Aminoethoxy)-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 103222680
5-(2-Aminoethoxy)-2-(3-methoxypropyl)pyridazin-3-one
CID 103222681

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropoxy)-2-hexylpyridazin-3-one?
The IUPAC name of 5-(2-aminopropoxy)-2-hexylpyridazin-3-one (CID 103222896) is 5-(2-aminopropoxy)-2-hexylpyridazin-3-one.
What is the SMILES notation for 5-(2-aminopropoxy)-2-hexylpyridazin-3-one?
The canonical SMILES for 5-(2-aminopropoxy)-2-hexylpyridazin-3-one is CCCCCCn1ncc(OCC(C)N)cc1=O.
What is the InChIKey of 5-(2-aminopropoxy)-2-hexylpyridazin-3-one?
The InChIKey is YGJNMVRFHMPGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-4-5-6-7-16-13(17)8-12(9-15-16)18-10-11(2)14/h8-9,11H,3-7,10,14H2,1-2H3.
What are the key properties of 5-(2-aminopropoxy)-2-hexylpyridazin-3-one?
5-(2-aminopropoxy)-2-hexylpyridazin-3-one has a molecular weight of 253.35 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropoxy)-2-hexylpyridazin-3-one is sourced from PubChem (CID 103222896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).