2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide

C11H18N4O3 — CID 103222655

IUPAC2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1ncc(OCCN)cc1=O
InChIInChI=1S/C11H18N4O3/c1-3-14(2)11(17)8-15-10(16)6-9(7-13-15)18-5-4-12/h6-7H,3-5,8,12H2,1-2H3
InChIKeyZXFVPEWJAMFDBO-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.94
Rot. Bonds6

About 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide

2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide (PubChem CID 103222655) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide
PubChem CID103222655
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1ncc(OCCN)cc1=O
InChIInChI=1S/C11H18N4O3/c1-3-14(2)11(17)8-15-10(16)6-9(7-13-15)18-5-4-12/h6-7H,3-5,8,12H2,1-2H3
InChIKeyZXFVPEWJAMFDBO-UHFFFAOYSA-N
XLogP-0.94
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide (CID 103222655) is 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide is CCN(C)C(=O)Cn1ncc(OCCN)cc1=O.
What is the InChIKey of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide?
The InChIKey is ZXFVPEWJAMFDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-14(2)11(17)8-15-10(16)6-9(7-13-15)18-5-4-12/h6-7H,3-5,8,12H2,1-2H3.
What are the key properties of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide?
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide has a molecular weight of 254.29 g/mol, XLogP of -0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 103222655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).