5-(2-aminoethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one

C11H20N4O2 — CID 103221233

IUPAC5-(2-aminoethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
SMILESCC(C)(O)CCn1ncc(NCCN)cc1=O
InChIInChI=1S/C11H20N4O2/c1-11(2,17)3-6-15-10(16)7-9(8-14-15)13-5-4-12/h7-8,13,17H,3-6,12H2,1-2H3
InChIKeyPDVVUWLSHFOELP-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.23
Rot. Bonds6

About 5-(2-aminoethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one

5-(2-aminoethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one (PubChem CID 103221233) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
PubChem CID103221233
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name5-(2-aminoethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
SMILESCC(C)(O)CCn1ncc(NCCN)cc1=O
InChIInChI=1S/C11H20N4O2/c1-11(2,17)3-6-15-10(16)7-9(8-14-15)13-5-4-12/h7-8,13,17H,3-6,12H2,1-2H3
InChIKeyPDVVUWLSHFOELP-UHFFFAOYSA-N
XLogP-0.23
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methylpropyl)acetamide
CID 103218238
2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 103218284
2-(4-amino-6-oxopyridazin-1-yl)-N-butylacetamide
CID 103218286
2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 103218362
5-Amino-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
CID 103218372
2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutyl)acetamide
CID 103218399
5-Amino-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
CID 103218417
2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-propylacetamide
CID 103218492
5-(Methylamino)-2-(2-methylbutyl)pyridazin-3-one
CID 103218501
5-(Methylamino)-2-(3-methylbutyl)pyridazin-3-one
CID 103218528
2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 103218568
N-butyl-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide
CID 103218570

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminoethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one (CID 103221233) is 5-(2-aminoethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one is CC(C)(O)CCn1ncc(NCCN)cc1=O.
What is the InChIKey of 5-(2-aminoethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
The InChIKey is PDVVUWLSHFOELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-11(2,17)3-6-15-10(16)7-9(8-14-15)13-5-4-12/h7-8,13,17H,3-6,12H2,1-2H3.
What are the key properties of 5-(2-aminoethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
5-(2-aminoethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one has a molecular weight of 240.31 g/mol, XLogP of -0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one is sourced from PubChem (CID 103221233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).