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

C13H22N4O3 — CID 103222956

IUPAC2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(N)COc1cnn(CC(=O)N(C)C(C)C)c(=O)c1
InChIInChI=1S/C13H22N4O3/c1-9(2)16(4)13(19)7-17-12(18)5-11(6-15-17)20-8-10(3)14/h5-6,9-10H,7-8,14H2,1-4H3
InChIKeyXRSPQCQMMNKGDW-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.16
Rot. Bonds6

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

2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 103222956) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID103222956
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(N)COc1cnn(CC(=O)N(C)C(C)C)c(=O)c1
InChIInChI=1S/C13H22N4O3/c1-9(2)16(4)13(19)7-17-12(18)5-11(6-15-17)20-8-10(3)14/h5-6,9-10H,7-8,14H2,1-4H3
InChIKeyXRSPQCQMMNKGDW-UHFFFAOYSA-N
XLogP-0.16
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide (CID 103222956) is 2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide is CC(N)COc1cnn(CC(=O)N(C)C(C)C)c(=O)c1.
What is the InChIKey of 2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is XRSPQCQMMNKGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-9(2)16(4)13(19)7-17-12(18)5-11(6-15-17)20-8-10(3)14/h5-6,9-10H,7-8,14H2,1-4H3.
What are the key properties of 2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 282.34 g/mol, XLogP of -0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 103222956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).