2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide

C9H15N5O2 — CID 103223387

IUPAC2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
SMILESCN(CCN)c1cnn(CC(N)=O)c(=O)c1
InChIInChI=1S/C9H15N5O2/c1-13(3-2-10)7-4-9(16)14(12-5-7)6-8(11)15/h4-5H,2-3,6,10H2,1H3,(H2,11,15)
InChIKeyRUSQUBULJDTLFG-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.88
Rot. Bonds5

About 2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide

2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide (PubChem CID 103223387) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
PubChem CID103223387
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
SMILESCN(CCN)c1cnn(CC(N)=O)c(=O)c1
InChIInChI=1S/C9H15N5O2/c1-13(3-2-10)7-4-9(16)14(12-5-7)6-8(11)15/h4-5H,2-3,6,10H2,1H3,(H2,11,15)
InChIKeyRUSQUBULJDTLFG-UHFFFAOYSA-N
XLogP-1.88
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 114397031
5-[2-aminoethyl(methyl)amino]-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 103223399
5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one
CID 103223346
5-[2-aminoethyl(methyl)amino]-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one
CID 103223394
5-[2-aminoethyl(methyl)amino]-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one
CID 103223454
5-[2-aminoethyl(methyl)amino]-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
CID 106460215
5-[2-aminoethyl(methyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 103223452
5-[2-aminoethyl(methyl)amino]-2-[(3-methylphenyl)methyl]pyridazin-3-one
CID 103223402
5-[2-aminoethyl(methyl)amino]-2-(2-phenoxyethyl)pyridazin-3-one
CID 103223467
3-[[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]pyridine-2-carbonitrile
CID 103223517
5-[2-aminoethyl(methyl)amino]-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103223341
N-(3-amino-3-sulfanylidenepropyl)-2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-methylacetamide
CID 114395821

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of 2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide (CID 103223387) is 2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide is CN(CCN)c1cnn(CC(N)=O)c(=O)c1.
What is the InChIKey of 2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide?
The InChIKey is RUSQUBULJDTLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-13(3-2-10)7-4-9(16)14(12-5-7)6-8(11)15/h4-5H,2-3,6,10H2,1H3,(H2,11,15).
What are the key properties of 2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide?
2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide has a molecular weight of 225.25 g/mol, XLogP of -1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 103223387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).