(2Z,3Z)-3-[(3,4-dimethylphenyl)-methylhydrazinylidene]-2-hydrazinylidenebutanal

C13H18N4O — CID 166737206

IUPAC(2Z,3Z)-3-[(3,4-dimethylphenyl)-methylhydrazinylidene]-2-hydrazinylidenebutanal
SMILESCC(=N/N(C)c1ccc(C)c(C)c1)/C(C=O)=N/N
InChIInChI=1S/C13H18N4O/c1-9-5-6-12(7-10(9)2)17(4)16-11(3)13(8-18)15-14/h5-8H,14H2,1-4H3/b15-13+,16-11-
InChIKeyIULLPQRXZHPHOR-YAYPWDRMSA-N
MW246.31 g/mol
LogP1.63
Rot. Bonds4

About (2Z,3Z)-3-[(3,4-dimethylphenyl)-methylhydrazinylidene]-2-hydrazinylidenebutanal

(2Z,3Z)-3-[(3,4-dimethylphenyl)-methylhydrazinylidene]-2-hydrazinylidenebutanal (PubChem CID 166737206) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is (2Z,3Z)-3-[(3,4-dimethylphenyl)-methylhydrazinylidene]-2-hydrazinylidenebutanal.

Molecular Properties

Compound Name(2Z,3Z)-3-[(3,4-dimethylphenyl)-methylhydrazinylidene]-2-hydrazinylidenebutanal
PubChem CID166737206
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name(2Z,3Z)-3-[(3,4-dimethylphenyl)-methylhydrazinylidene]-2-hydrazinylidenebutanal
SMILESCC(=N/N(C)c1ccc(C)c(C)c1)/C(C=O)=N/N
InChIInChI=1S/C13H18N4O/c1-9-5-6-12(7-10(9)2)17(4)16-11(3)13(8-18)15-14/h5-8H,14H2,1-4H3/b15-13+,16-11-
InChIKeyIULLPQRXZHPHOR-YAYPWDRMSA-N
XLogP1.63
TPSA71.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2Z,3Z)-3-[(3,4-dimethylphenyl)-methylhydrazinylidene]-2-hydrazinylidenebutanal 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 (2Z,3Z)-3-[(3,4-dimethylphenyl)-methylhydrazinylidene]-2-hydrazinylidenebutanal?
The IUPAC name of (2Z,3Z)-3-[(3,4-dimethylphenyl)-methylhydrazinylidene]-2-hydrazinylidenebutanal (CID 166737206) is (2Z,3Z)-3-[(3,4-dimethylphenyl)-methylhydrazinylidene]-2-hydrazinylidenebutanal.
What is the SMILES notation for (2Z,3Z)-3-[(3,4-dimethylphenyl)-methylhydrazinylidene]-2-hydrazinylidenebutanal?
The canonical SMILES for (2Z,3Z)-3-[(3,4-dimethylphenyl)-methylhydrazinylidene]-2-hydrazinylidenebutanal is CC(=N/N(C)c1ccc(C)c(C)c1)/C(C=O)=N/N.
What is the InChIKey of (2Z,3Z)-3-[(3,4-dimethylphenyl)-methylhydrazinylidene]-2-hydrazinylidenebutanal?
The InChIKey is IULLPQRXZHPHOR-YAYPWDRMSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-5-6-12(7-10(9)2)17(4)16-11(3)13(8-18)15-14/h5-8H,14H2,1-4H3/b15-13+,16-11-.
What are the key properties of (2Z,3Z)-3-[(3,4-dimethylphenyl)-methylhydrazinylidene]-2-hydrazinylidenebutanal?
(2Z,3Z)-3-[(3,4-dimethylphenyl)-methylhydrazinylidene]-2-hydrazinylidenebutanal has a molecular weight of 246.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z)-3-[(3,4-dimethylphenyl)-methylhydrazinylidene]-2-hydrazinylidenebutanal is sourced from PubChem (CID 166737206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).