5-(2-aminoethylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one

C12H20N4O2 — CID 103221230

IUPAC5-(2-aminoethylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one
SMILESNCCNc1cnn(CCC2CCCO2)c(=O)c1
InChIInChI=1S/C12H20N4O2/c13-4-5-14-10-8-12(17)16(15-9-10)6-3-11-2-1-7-18-11/h8-9,11,14H,1-7,13H2
InChIKeyQVKMOPOXGXDULY-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.18
Rot. Bonds6

About 5-(2-aminoethylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one

5-(2-aminoethylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one (PubChem CID 103221230) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one
PubChem CID103221230
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-(2-aminoethylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one
SMILESNCCNc1cnn(CCC2CCCO2)c(=O)c1
InChIInChI=1S/C12H20N4O2/c13-4-5-14-10-8-12(17)16(15-9-10)6-3-11-2-1-7-18-11/h8-9,11,14H,1-7,13H2
InChIKeyQVKMOPOXGXDULY-UHFFFAOYSA-N
XLogP0.18
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one?
The IUPAC name of 5-(2-aminoethylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one (CID 103221230) is 5-(2-aminoethylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one is NCCNc1cnn(CCC2CCCO2)c(=O)c1.
What is the InChIKey of 5-(2-aminoethylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one?
The InChIKey is QVKMOPOXGXDULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c13-4-5-14-10-8-12(17)16(15-9-10)6-3-11-2-1-7-18-11/h8-9,11,14H,1-7,13H2.
What are the key properties of 5-(2-aminoethylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one?
5-(2-aminoethylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one has a molecular weight of 252.32 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 103221230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).