8-[2-(ethylamino)ethyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one

C11H18N4O — CID 59751875

IUPAC8-[2-(ethylamino)ethyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESCCNCCc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C11H18N4O/c1-2-12-7-5-9-10-8(4-3-6-13-10)11(16)15-14-9/h12-13H,2-7H2,1H3,(H,15,16)
InChIKeyIWBVYOWLBXCMCZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.28
Rot. Bonds4

About 8-[2-(ethylamino)ethyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one

8-[2-(ethylamino)ethyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (PubChem CID 59751875) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 8-[2-(ethylamino)ethyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name8-[2-(ethylamino)ethyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
PubChem CID59751875
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name8-[2-(ethylamino)ethyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESCCNCCc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C11H18N4O/c1-2-12-7-5-9-10-8(4-3-6-13-10)11(16)15-14-9/h12-13H,2-7H2,1H3,(H,15,16)
InChIKeyIWBVYOWLBXCMCZ-UHFFFAOYSA-N
XLogP0.28
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[2-(ethylamino)ethyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[2-(ethylamino)ethyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 8-[2-(ethylamino)ethyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (CID 59751875) is 8-[2-(ethylamino)ethyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 8-[2-(ethylamino)ethyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 8-[2-(ethylamino)ethyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is CCNCCc1n[nH]c(=O)c2c1NCCC2.
What is the InChIKey of 8-[2-(ethylamino)ethyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The InChIKey is IWBVYOWLBXCMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-12-7-5-9-10-8(4-3-6-13-10)11(16)15-14-9/h12-13H,2-7H2,1H3,(H,15,16).
What are the key properties of 8-[2-(ethylamino)ethyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
8-[2-(ethylamino)ethyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one has a molecular weight of 222.29 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(ethylamino)ethyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 59751875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).