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

C10H18N4O2 — CID 103221159

IUPAC5-(2-aminoethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
SMILESCC(CO)Cn1ncc(NCCN)cc1=O
InChIInChI=1S/C10H18N4O2/c1-8(7-15)6-14-10(16)4-9(5-13-14)12-3-2-11/h4-5,8,12,15H,2-3,6-7,11H2,1H3
InChIKeyIOQMNXFYFJLZRK-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.76
Rot. Bonds6

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

5-(2-aminoethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one (PubChem CID 103221159) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
PubChem CID103221159
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-(2-aminoethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
SMILESCC(CO)Cn1ncc(NCCN)cc1=O
InChIInChI=1S/C10H18N4O2/c1-8(7-15)6-14-10(16)4-9(5-13-14)12-3-2-11/h4-5,8,12,15H,2-3,6-7,11H2,1H3
InChIKeyIOQMNXFYFJLZRK-UHFFFAOYSA-N
XLogP-0.76
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 103221101
5-[2-(methylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 103223530
5-(2-aminoethylamino)-2-[2-(diethylamino)ethyl]pyridazin-3-one
CID 103221065
5-(2-aminoethylamino)-2-(pyrimidin-2-ylmethyl)pyridazin-3-one
CID 103221268
5-(2-aminoethylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one
CID 103220996
5-(2-aminoethylamino)-2-[(1-ethylpyrazol-4-yl)methyl]pyridazin-3-one
CID 103221289
5-(2-aminoethylamino)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridazin-3-one
CID 103221302
5-(2-aminoethylamino)-2-(3-phenylpropyl)pyridazin-3-one
CID 103221075
2-(3-hydroxy-2-methylpropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114396453
5-(2-aminoethylamino)-2-[(4-chloro-2-fluorophenyl)methyl]pyridazin-3-one
CID 103221049
5-(2-aminoethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103221223
5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one
CID 103220968

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminoethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one (CID 103221159) is 5-(2-aminoethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one is CC(CO)Cn1ncc(NCCN)cc1=O.
What is the InChIKey of 5-(2-aminoethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one?
The InChIKey is IOQMNXFYFJLZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-8(7-15)6-14-10(16)4-9(5-13-14)12-3-2-11/h4-5,8,12,15H,2-3,6-7,11H2,1H3.
What are the key properties of 5-(2-aminoethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one?
5-(2-aminoethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one has a molecular weight of 226.28 g/mol, XLogP of -0.76, 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-2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 103221159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).