2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide

C12H20N4O3 — CID 103222717

IUPAC2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1ncc(OCCN)cc1=O
InChIInChI=1S/C12H20N4O3/c1-9(2)15(3)12(18)8-16-11(17)6-10(7-14-16)19-5-4-13/h6-7,9H,4-5,8,13H2,1-3H3
InChIKeyWKVHPOQSHGNSBY-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.55
Rot. Bonds6

About 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide

2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 103222717) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID103222717
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1ncc(OCCN)cc1=O
InChIInChI=1S/C12H20N4O3/c1-9(2)15(3)12(18)8-16-11(17)6-10(7-14-16)19-5-4-13/h6-7,9H,4-5,8,13H2,1-3H3
InChIKeyWKVHPOQSHGNSBY-UHFFFAOYSA-N
XLogP-0.55
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
5-(2-Aminopropoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103223090
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]-N-(2-cyanoethyl)acetamide
CID 103222649
2-[4-(2-Aminoethoxy)-6-oxopyridazin-1-yl]acetonitrile
CID 103222651
5-(2-Aminoethoxy)-2-(2-morpholin-4-ylethyl)pyridazin-3-one
CID 103222654
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-[3-(dimethylamino)propyl]pyridazin-3-one
CID 103222680
5-(2-Aminoethoxy)-2-(3-methoxypropyl)pyridazin-3-one
CID 103222681

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide (CID 103222717) is 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)Cn1ncc(OCCN)cc1=O.
What is the InChIKey of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is WKVHPOQSHGNSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-9(2)15(3)12(18)8-16-11(17)6-10(7-14-16)19-5-4-13/h6-7,9H,4-5,8,13H2,1-3H3.
What are the key properties of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 268.32 g/mol, XLogP of -0.55, 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-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 103222717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).