tert-butyl (3E)-3-[[6-(dimethylamino)pyridazin-3-yl]hydrazinylidene]butanoate

C14H23N5O2 — CID 13382911

IUPACtert-butyl (3E)-3-[[6-(dimethylamino)pyridazin-3-yl]hydrazinylidene]butanoate
SMILESC/C(CC(=O)OC(C)(C)C)=N\Nc1ccc(N(C)C)nn1
InChIInChI=1S/C14H23N5O2/c1-10(9-13(20)21-14(2,3)4)15-16-11-7-8-12(18-17-11)19(5)6/h7-8H,9H2,1-6H3,(H,16,17)/b15-10+
InChIKeyLOIDJSQLPFXMPV-XNTDXEJSSA-N
MW293.37 g/mol
LogP2.06
Rot. Bonds5

About tert-butyl (3E)-3-[[6-(dimethylamino)pyridazin-3-yl]hydrazinylidene]butanoate

tert-butyl (3E)-3-[[6-(dimethylamino)pyridazin-3-yl]hydrazinylidene]butanoate (PubChem CID 13382911) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl (3E)-3-[[6-(dimethylamino)pyridazin-3-yl]hydrazinylidene]butanoate.

Molecular Properties

Compound Nametert-butyl (3E)-3-[[6-(dimethylamino)pyridazin-3-yl]hydrazinylidene]butanoate
PubChem CID13382911
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Nametert-butyl (3E)-3-[[6-(dimethylamino)pyridazin-3-yl]hydrazinylidene]butanoate
SMILESC/C(CC(=O)OC(C)(C)C)=N\Nc1ccc(N(C)C)nn1
InChIInChI=1S/C14H23N5O2/c1-10(9-13(20)21-14(2,3)4)15-16-11-7-8-12(18-17-11)19(5)6/h7-8H,9H2,1-6H3,(H,16,17)/b15-10+
InChIKeyLOIDJSQLPFXMPV-XNTDXEJSSA-N
XLogP2.06
TPSA79.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl (3E)-3-[[6-(dimethylamino)pyridazin-3-yl]hydrazinylidene]butanoate 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 tert-butyl (3E)-3-[[6-(dimethylamino)pyridazin-3-yl]hydrazinylidene]butanoate?
The IUPAC name of tert-butyl (3E)-3-[[6-(dimethylamino)pyridazin-3-yl]hydrazinylidene]butanoate (CID 13382911) is tert-butyl (3E)-3-[[6-(dimethylamino)pyridazin-3-yl]hydrazinylidene]butanoate.
What is the SMILES notation for tert-butyl (3E)-3-[[6-(dimethylamino)pyridazin-3-yl]hydrazinylidene]butanoate?
The canonical SMILES for tert-butyl (3E)-3-[[6-(dimethylamino)pyridazin-3-yl]hydrazinylidene]butanoate is C/C(CC(=O)OC(C)(C)C)=N\Nc1ccc(N(C)C)nn1.
What is the InChIKey of tert-butyl (3E)-3-[[6-(dimethylamino)pyridazin-3-yl]hydrazinylidene]butanoate?
The InChIKey is LOIDJSQLPFXMPV-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-10(9-13(20)21-14(2,3)4)15-16-11-7-8-12(18-17-11)19(5)6/h7-8H,9H2,1-6H3,(H,16,17)/b15-10+.
What are the key properties of tert-butyl (3E)-3-[[6-(dimethylamino)pyridazin-3-yl]hydrazinylidene]butanoate?
tert-butyl (3E)-3-[[6-(dimethylamino)pyridazin-3-yl]hydrazinylidene]butanoate has a molecular weight of 293.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3E)-3-[[6-(dimethylamino)pyridazin-3-yl]hydrazinylidene]butanoate is sourced from PubChem (CID 13382911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).