2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-cyanoethyl)acetamide

C11H15N5O3 — CID 103222649

IUPAC2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-cyanoethyl)acetamide
SMILESN#CCCNC(=O)Cn1ncc(OCCN)cc1=O
InChIInChI=1S/C11H15N5O3/c12-2-1-4-14-10(17)8-16-11(18)6-9(7-15-16)19-5-3-13/h6-7H,1,3-5,8,13H2,(H,14,17)
InChIKeyQVDDYMIIURUPCQ-UHFFFAOYSA-N
MW265.27 g/mol
LogP-1.39
Rot. Bonds7

About 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-cyanoethyl)acetamide

2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-cyanoethyl)acetamide (PubChem CID 103222649) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-cyanoethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-cyanoethyl)acetamide
PubChem CID103222649
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-cyanoethyl)acetamide
SMILESN#CCCNC(=O)Cn1ncc(OCCN)cc1=O
InChIInChI=1S/C11H15N5O3/c12-2-1-4-14-10(17)8-16-11(18)6-9(7-15-16)19-5-3-13/h6-7H,1,3-5,8,13H2,(H,14,17)
InChIKeyQVDDYMIIURUPCQ-UHFFFAOYSA-N
XLogP-1.39
TPSA123.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103222825
2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103223046
2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103223254
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
2-[4-(2-Aminoethoxy)-6-oxopyridazin-1-yl]propanamide
CID 103222665
5-(2-Aminoethoxy)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 103222683
5-(2-Aminoethoxy)-2-propylpyridazin-3-one
CID 103222684
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-pentan-2-ylacetamide
CID 103222697
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)acetamide
CID 103222711
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 103222717

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-cyanoethyl)acetamide?
The IUPAC name of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-cyanoethyl)acetamide (CID 103222649) is 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-cyanoethyl)acetamide.
What is the SMILES notation for 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-cyanoethyl)acetamide?
The canonical SMILES for 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-cyanoethyl)acetamide is N#CCCNC(=O)Cn1ncc(OCCN)cc1=O.
What is the InChIKey of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-cyanoethyl)acetamide?
The InChIKey is QVDDYMIIURUPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c12-2-1-4-14-10(17)8-16-11(18)6-9(7-15-16)19-5-3-13/h6-7H,1,3-5,8,13H2,(H,14,17).
What are the key properties of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-cyanoethyl)acetamide?
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-cyanoethyl)acetamide has a molecular weight of 265.27 g/mol, XLogP of -1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-cyanoethyl)acetamide is sourced from PubChem (CID 103222649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).