2-[2-(ethylamino)ethyl]pyridazin-3-one

C8H13N3O — CID 62850666

IUPAC2-[2-(ethylamino)ethyl]pyridazin-3-one
SMILESCCNCCn1ncccc1=O
InChIInChI=1S/C8H13N3O/c1-2-9-6-7-11-8(12)4-3-5-10-11/h3-5,9H,2,6-7H2,1H3
InChIKeyBIJOWXWNXZCPOS-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.15
Rot. Bonds4

About 2-[2-(ethylamino)ethyl]pyridazin-3-one

2-[2-(ethylamino)ethyl]pyridazin-3-one (PubChem CID 62850666) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-[2-(ethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(ethylamino)ethyl]pyridazin-3-one
PubChem CID62850666
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-[2-(ethylamino)ethyl]pyridazin-3-one
SMILESCCNCCn1ncccc1=O
InChIInChI=1S/C8H13N3O/c1-2-9-6-7-11-8(12)4-3-5-10-11/h3-5,9H,2,6-7H2,1H3
InChIKeyBIJOWXWNXZCPOS-UHFFFAOYSA-N
XLogP-0.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(ethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-(ethylamino)ethyl]pyridazin-3-one (CID 62850666) is 2-[2-(ethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(ethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(ethylamino)ethyl]pyridazin-3-one is CCNCCn1ncccc1=O.
What is the InChIKey of 2-[2-(ethylamino)ethyl]pyridazin-3-one?
The InChIKey is BIJOWXWNXZCPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-9-6-7-11-8(12)4-3-5-10-11/h3-5,9H,2,6-7H2,1H3.
What are the key properties of 2-[2-(ethylamino)ethyl]pyridazin-3-one?
2-[2-(ethylamino)ethyl]pyridazin-3-one has a molecular weight of 167.21 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 62850666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).