5-(2-aminoethoxy)-2-pent-3-ynylpyridazin-3-one

C11H15N3O2 — CID 103222679

IUPAC5-(2-aminoethoxy)-2-pent-3-ynylpyridazin-3-one
SMILESCC#CCCn1ncc(OCCN)cc1=O
InChIInChI=1S/C11H15N3O2/c1-2-3-4-6-14-11(15)8-10(9-13-14)16-7-5-12/h8-9H,4-7,12H2,1H3
InChIKeyVFRBRABBOTXYKG-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.01
Rot. Bonds5

About 5-(2-aminoethoxy)-2-pent-3-ynylpyridazin-3-one

5-(2-aminoethoxy)-2-pent-3-ynylpyridazin-3-one (PubChem CID 103222679) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-pent-3-ynylpyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-pent-3-ynylpyridazin-3-one
PubChem CID103222679
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name5-(2-aminoethoxy)-2-pent-3-ynylpyridazin-3-one
SMILESCC#CCCn1ncc(OCCN)cc1=O
InChIInChI=1S/C11H15N3O2/c1-2-3-4-6-14-11(15)8-10(9-13-14)16-7-5-12/h8-9H,4-7,12H2,1H3
InChIKeyVFRBRABBOTXYKG-UHFFFAOYSA-N
XLogP-0.01
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Aminoethoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103222856
5-(2-Aminoethoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103222873
5-(2-Aminopropoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103223073
2-(2-methoxy-ethyl)-5-methoxy-2H-pyridazin-3-one
CID 66865610
5-(2-Aminoethoxy)-2-methylpyridazin-3-one
CID 84075911
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
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-diethylacetamide
CID 103222647
2-[4-(2-Aminoethoxy)-6-oxopyridazin-1-yl]acetonitrile
CID 103222651
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide
CID 103222655

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-2-pent-3-ynylpyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-pent-3-ynylpyridazin-3-one (CID 103222679) is 5-(2-aminoethoxy)-2-pent-3-ynylpyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-pent-3-ynylpyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-pent-3-ynylpyridazin-3-one is CC#CCCn1ncc(OCCN)cc1=O.
What is the InChIKey of 5-(2-aminoethoxy)-2-pent-3-ynylpyridazin-3-one?
The InChIKey is VFRBRABBOTXYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-3-4-6-14-11(15)8-10(9-13-14)16-7-5-12/h8-9H,4-7,12H2,1H3.
What are the key properties of 5-(2-aminoethoxy)-2-pent-3-ynylpyridazin-3-one?
5-(2-aminoethoxy)-2-pent-3-ynylpyridazin-3-one has a molecular weight of 221.26 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-pent-3-ynylpyridazin-3-one is sourced from PubChem (CID 103222679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).