3-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide

C11H18N4O3 — CID 103222872

IUPAC3-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCn1ncc(OCCN)cc1=O
InChIInChI=1S/C11H18N4O3/c1-14(2)10(16)3-5-15-11(17)7-9(8-13-15)18-6-4-12/h7-8H,3-6,12H2,1-2H3
InChIKeyCRJBZOIZFBFZSY-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.94
Rot. Bonds6

About 3-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide

3-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide (PubChem CID 103222872) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide
PubChem CID103222872
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name3-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCn1ncc(OCCN)cc1=O
InChIInChI=1S/C11H18N4O3/c1-14(2)10(16)3-5-15-11(17)7-9(8-13-15)18-6-4-12/h7-8H,3-6,12H2,1-2H3
InChIKeyCRJBZOIZFBFZSY-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 3-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide (CID 103222872) is 3-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide is CN(C)C(=O)CCn1ncc(OCCN)cc1=O.
What is the InChIKey of 3-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide?
The InChIKey is CRJBZOIZFBFZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-14(2)10(16)3-5-15-11(17)7-9(8-13-15)18-6-4-12/h7-8H,3-6,12H2,1-2H3.
What are the key properties of 3-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide?
3-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide 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 3-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 103222872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).