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

C15H25N5O3 — CID 56892429

IUPAC2-[4-[2-(2-aminoethyl)morpholin-4-yl]-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1ncc(N2CCOC(CCN)C2)cc1=O
InChIInChI=1S/C15H25N5O3/c1-3-18(2)15(22)11-20-14(21)8-12(9-17-20)19-6-7-23-13(10-19)4-5-16/h8-9,13H,3-7,10-11,16H2,1-2H3
InChIKeyATWWOALHBRXUAE-UHFFFAOYSA-N
MW323.40 g/mol
LogP-0.72
Rot. Bonds6

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

2-[4-[2-(2-aminoethyl)morpholin-4-yl]-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide (PubChem CID 56892429) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[4-[2-(2-aminoethyl)morpholin-4-yl]-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[2-(2-aminoethyl)morpholin-4-yl]-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide
PubChem CID56892429
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name2-[4-[2-(2-aminoethyl)morpholin-4-yl]-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1ncc(N2CCOC(CCN)C2)cc1=O
InChIInChI=1S/C15H25N5O3/c1-3-18(2)15(22)11-20-14(21)8-12(9-17-20)19-6-7-23-13(10-19)4-5-16/h8-9,13H,3-7,10-11,16H2,1-2H3
InChIKeyATWWOALHBRXUAE-UHFFFAOYSA-N
XLogP-0.72
TPSA93.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-aminoethyl)morpholin-4-yl]-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[4-[2-(2-aminoethyl)morpholin-4-yl]-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide (CID 56892429) is 2-[4-[2-(2-aminoethyl)morpholin-4-yl]-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[4-[2-(2-aminoethyl)morpholin-4-yl]-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[4-[2-(2-aminoethyl)morpholin-4-yl]-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide is CCN(C)C(=O)Cn1ncc(N2CCOC(CCN)C2)cc1=O.
What is the InChIKey of 2-[4-[2-(2-aminoethyl)morpholin-4-yl]-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide?
The InChIKey is ATWWOALHBRXUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-3-18(2)15(22)11-20-14(21)8-12(9-17-20)19-6-7-23-13(10-19)4-5-16/h8-9,13H,3-7,10-11,16H2,1-2H3.
What are the key properties of 2-[4-[2-(2-aminoethyl)morpholin-4-yl]-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide?
2-[4-[2-(2-aminoethyl)morpholin-4-yl]-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide has a molecular weight of 323.40 g/mol, XLogP of -0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-aminoethyl)morpholin-4-yl]-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 56892429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).