2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopropyl-N-methylacetamide

C13H20N4O3 — CID 103223025

IUPAC2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopropyl-N-methylacetamide
SMILESCC(N)COc1cnn(CC(=O)N(C)C2CC2)c(=O)c1
InChIInChI=1S/C13H20N4O3/c1-9(14)8-20-11-5-12(18)17(15-6-11)7-13(19)16(2)10-3-4-10/h5-6,9-10H,3-4,7-8,14H2,1-2H3
InChIKeyJQPWWZXTRXNFFA-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.41
Rot. Bonds6

About 2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopropyl-N-methylacetamide

2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopropyl-N-methylacetamide (PubChem CID 103223025) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopropyl-N-methylacetamide
PubChem CID103223025
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopropyl-N-methylacetamide
SMILESCC(N)COc1cnn(CC(=O)N(C)C2CC2)c(=O)c1
InChIInChI=1S/C13H20N4O3/c1-9(14)8-20-11-5-12(18)17(15-6-11)7-13(19)16(2)10-3-4-10/h5-6,9-10H,3-4,7-8,14H2,1-2H3
InChIKeyJQPWWZXTRXNFFA-UHFFFAOYSA-N
XLogP-0.41
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 103222956
5-(2-aminopropoxy)-2-(2-hydroxypropyl)pyridazin-3-one
CID 103223050
2-[4-(cyclobutylamino)-6-oxopyridazin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 103220607
5-(2-aminopropoxy)-2-[2-(4-methylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 103223101
5-(2-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one
CID 103223081
5-(2-aminopropoxy)-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
CID 103222940
5-(2-aminopropoxy)-2-benzylpyridazin-3-one
CID 103223013
5-(2-aminopropoxy)-2-(pyridin-4-ylmethyl)pyridazin-3-one
CID 103222937
5-(2-aminopropoxy)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one
CID 107914611
2-(6-aminoindazol-1-yl)-N-cyclopropyl-N-methylacetamide
CID 54957294
5-(2-aminopropoxy)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridazin-3-one
CID 103223098
5-(2-aminopropoxy)-2-(thiophen-2-ylmethyl)pyridazin-3-one
CID 103223038

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopropyl-N-methylacetamide (CID 103223025) is 2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopropyl-N-methylacetamide is CC(N)COc1cnn(CC(=O)N(C)C2CC2)c(=O)c1.
What is the InChIKey of 2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopropyl-N-methylacetamide?
The InChIKey is JQPWWZXTRXNFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9(14)8-20-11-5-12(18)17(15-6-11)7-13(19)16(2)10-3-4-10/h5-6,9-10H,3-4,7-8,14H2,1-2H3.
What are the key properties of 2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopropyl-N-methylacetamide?
2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopropyl-N-methylacetamide has a molecular weight of 280.33 g/mol, XLogP of -0.41, 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-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 103223025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).