5-(2-aminoethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one

C12H20N4O2 — CID 103221223

IUPAC5-(2-aminoethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
SMILESNCCNc1cnn(CC2CCOCC2)c(=O)c1
InChIInChI=1S/C12H20N4O2/c13-3-4-14-11-7-12(17)16(15-8-11)9-10-1-5-18-6-2-10/h7-8,10,14H,1-6,9,13H2
InChIKeyNJIFBIWBMIOCSQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.04
Rot. Bonds5

About 5-(2-aminoethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one

5-(2-aminoethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one (PubChem CID 103221223) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
PubChem CID103221223
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-(2-aminoethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
SMILESNCCNc1cnn(CC2CCOCC2)c(=O)c1
InChIInChI=1S/C12H20N4O2/c13-3-4-14-11-7-12(17)16(15-8-11)9-10-1-5-18-6-2-10/h7-8,10,14H,1-6,9,13H2
InChIKeyNJIFBIWBMIOCSQ-UHFFFAOYSA-N
XLogP0.04
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-aminoethylamino)-2-(pyrimidin-2-ylmethyl)pyridazin-3-one
CID 103221268
5-(2-aminoethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
CID 103221159
4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114444067
5-(cyclobutylamino)-2-(cyclopentylmethyl)pyridazin-3-one
CID 103220561
5-(2-aminoethylamino)-2-[2-(diethylamino)ethyl]pyridazin-3-one
CID 103221065
2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 103221101
5-(2-aminoethylamino)-2-(3-phenylpropyl)pyridazin-3-one
CID 103221075
5-(2-aminoethylamino)-2-[(4-chloro-2-fluorophenyl)methyl]pyridazin-3-one
CID 103221049
5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one
CID 103220968
5-(2-aminoethylamino)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridazin-3-one
CID 103221302
5-(2-aminoethylamino)-2-[(1-ethylpyrazol-4-yl)methyl]pyridazin-3-one
CID 103221289
5-morpholin-4-yl-2-(piperidin-4-ylmethyl)pyridazin-3-one
CID 114395885

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminoethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one (CID 103221223) is 5-(2-aminoethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one is NCCNc1cnn(CC2CCOCC2)c(=O)c1.
What is the InChIKey of 5-(2-aminoethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one?
The InChIKey is NJIFBIWBMIOCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c13-3-4-14-11-7-12(17)16(15-8-11)9-10-1-5-18-6-2-10/h7-8,10,14H,1-6,9,13H2.
What are the key properties of 5-(2-aminoethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one?
5-(2-aminoethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one has a molecular weight of 252.32 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 103221223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).