butyl 4-(ethylamino)pyridazine-3-carboxylate

C11H17N3O2 — CID 140977218

IUPACbutyl 4-(ethylamino)pyridazine-3-carboxylate
SMILESCCCCOC(=O)c1nnccc1NCC
InChIInChI=1S/C11H17N3O2/c1-3-5-8-16-11(15)10-9(12-4-2)6-7-13-14-10/h6-7H,3-5,8H2,1-2H3,(H,12,13)
InChIKeyLZCAEZPPCHWQLF-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.87
Rot. Bonds6

About butyl 4-(ethylamino)pyridazine-3-carboxylate

butyl 4-(ethylamino)pyridazine-3-carboxylate (PubChem CID 140977218) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is butyl 4-(ethylamino)pyridazine-3-carboxylate.

Molecular Properties

Compound Namebutyl 4-(ethylamino)pyridazine-3-carboxylate
PubChem CID140977218
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namebutyl 4-(ethylamino)pyridazine-3-carboxylate
SMILESCCCCOC(=O)c1nnccc1NCC
InChIInChI=1S/C11H17N3O2/c1-3-5-8-16-11(15)10-9(12-4-2)6-7-13-14-10/h6-7H,3-5,8H2,1-2H3,(H,12,13)
InChIKeyLZCAEZPPCHWQLF-UHFFFAOYSA-N
XLogP1.87
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
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 butyl 4-(ethylamino)pyridazine-3-carboxylate?
The IUPAC name of butyl 4-(ethylamino)pyridazine-3-carboxylate (CID 140977218) is butyl 4-(ethylamino)pyridazine-3-carboxylate.
What is the SMILES notation for butyl 4-(ethylamino)pyridazine-3-carboxylate?
The canonical SMILES for butyl 4-(ethylamino)pyridazine-3-carboxylate is CCCCOC(=O)c1nnccc1NCC.
What is the InChIKey of butyl 4-(ethylamino)pyridazine-3-carboxylate?
The InChIKey is LZCAEZPPCHWQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-5-8-16-11(15)10-9(12-4-2)6-7-13-14-10/h6-7H,3-5,8H2,1-2H3,(H,12,13).
What are the key properties of butyl 4-(ethylamino)pyridazine-3-carboxylate?
butyl 4-(ethylamino)pyridazine-3-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(ethylamino)pyridazine-3-carboxylate is sourced from PubChem (CID 140977218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).