2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one

C11H20N4O — CID 103223613

IUPAC2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one
SMILESCCCCn1ncc(NCCNC)cc1=O
InChIInChI=1S/C11H20N4O/c1-3-4-7-15-11(16)8-10(9-14-15)13-6-5-12-2/h8-9,12-13H,3-7H2,1-2H3
InChIKeyILQFTDXXKSLMTM-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.67
Rot. Bonds7

About 2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one

2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one (PubChem CID 103223613) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one
PubChem CID103223613
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one
SMILESCCCCn1ncc(NCCNC)cc1=O
InChIInChI=1S/C11H20N4O/c1-3-4-7-15-11(16)8-10(9-14-15)13-6-5-12-2/h8-9,12-13H,3-7H2,1-2H3
InChIKeyILQFTDXXKSLMTM-UHFFFAOYSA-N
XLogP0.67
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one?
The IUPAC name of 2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one (CID 103223613) is 2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one.
What is the SMILES notation for 2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one?
The canonical SMILES for 2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one is CCCCn1ncc(NCCNC)cc1=O.
What is the InChIKey of 2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one?
The InChIKey is ILQFTDXXKSLMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-4-7-15-11(16)8-10(9-14-15)13-6-5-12-2/h8-9,12-13H,3-7H2,1-2H3.
What are the key properties of 2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one?
2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one has a molecular weight of 224.31 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one is sourced from PubChem (CID 103223613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).