ethyl 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate

C14H23N3O3 — CID 114393840

IUPACethyl 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate
SMILESCCOC(=O)CCCCCn1ncc(N(C)C)cc1=O
InChIInChI=1S/C14H23N3O3/c1-4-20-14(19)8-6-5-7-9-17-13(18)10-12(11-15-17)16(2)3/h10-11H,4-9H2,1-3H3
InChIKeyRNUAMSULDMDVBS-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.43
Rot. Bonds8

About ethyl 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate

ethyl 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate (PubChem CID 114393840) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate.

Molecular Properties

Compound Nameethyl 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate
PubChem CID114393840
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nameethyl 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate
SMILESCCOC(=O)CCCCCn1ncc(N(C)C)cc1=O
InChIInChI=1S/C14H23N3O3/c1-4-20-14(19)8-6-5-7-9-17-13(18)10-12(11-15-17)16(2)3/h10-11H,4-9H2,1-3H3
InChIKeyRNUAMSULDMDVBS-UHFFFAOYSA-N
XLogP1.43
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate 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 ethyl 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate?
The IUPAC name of ethyl 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate (CID 114393840) is ethyl 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate.
What is the SMILES notation for ethyl 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate?
The canonical SMILES for ethyl 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate is CCOC(=O)CCCCCn1ncc(N(C)C)cc1=O.
What is the InChIKey of ethyl 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate?
The InChIKey is RNUAMSULDMDVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-20-14(19)8-6-5-7-9-17-13(18)10-12(11-15-17)16(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of ethyl 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate?
ethyl 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate has a molecular weight of 281.36 g/mol, XLogP of 1.43, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate is sourced from PubChem (CID 114393840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).