1-[1-(4-methylphenyl)triazol-4-yl]-N-[3-[[1-(4-methylphenyl)triazol-4-yl]methylideneamino]pentyl]methanimine

C25H28N8 — CID 132938374

IUPAC1-[1-(4-methylphenyl)triazol-4-yl]-N-[3-[[1-(4-methylphenyl)triazol-4-yl]methylideneamino]pentyl]methanimine
SMILESCCC(CC/N=C/c1cn(-c2ccc(C)cc2)nn1)/N=C/c1cn(-c2ccc(C)cc2)nn1
InChIInChI=1S/C25H28N8/c1-4-21(27-16-23-18-33(31-29-23)25-11-7-20(3)8-12-25)13-14-26-15-22-17-32(30-28-22)24-9-5-19(2)6-10-24/h5-12,15-18,21H,4,13-14H2,1-3H3/b26-15+,27-16+
InChIKeyKPZILKNQOJMUAE-JQMRRPHZSA-N
MW440.56 g/mol
LogP4.17
Rot. Bonds9

About 1-[1-(4-methylphenyl)triazol-4-yl]-N-[3-[[1-(4-methylphenyl)triazol-4-yl]methylideneamino]pentyl]methanimine

1-[1-(4-methylphenyl)triazol-4-yl]-N-[3-[[1-(4-methylphenyl)triazol-4-yl]methylideneamino]pentyl]methanimine (PubChem CID 132938374) has the molecular formula C25H28N8 and a molecular weight of 440.56 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)triazol-4-yl]-N-[3-[[1-(4-methylphenyl)triazol-4-yl]methylideneamino]pentyl]methanimine.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)triazol-4-yl]-N-[3-[[1-(4-methylphenyl)triazol-4-yl]methylideneamino]pentyl]methanimine
PubChem CID132938374
Molecular FormulaC25H28N8
Molecular Weight440.56 g/mol
Exact Mass440.24
IUPAC Name1-[1-(4-methylphenyl)triazol-4-yl]-N-[3-[[1-(4-methylphenyl)triazol-4-yl]methylideneamino]pentyl]methanimine
SMILESCCC(CC/N=C/c1cn(-c2ccc(C)cc2)nn1)/N=C/c1cn(-c2ccc(C)cc2)nn1
InChIInChI=1S/C25H28N8/c1-4-21(27-16-23-18-33(31-29-23)25-11-7-20(3)8-12-25)13-14-26-15-22-17-32(30-28-22)24-9-5-19(2)6-10-24/h5-12,15-18,21H,4,13-14H2,1-3H3/b26-15+,27-16+
InChIKeyKPZILKNQOJMUAE-JQMRRPHZSA-N
XLogP4.17
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[1-(4-methylphenyl)triazol-4-yl]-N-[3-[[1-(4-methylphenyl)triazol-4-yl]methylideneamino]pentyl]methanimine 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 1-[1-(4-methylphenyl)triazol-4-yl]-N-[3-[[1-(4-methylphenyl)triazol-4-yl]methylideneamino]pentyl]methanimine?
The IUPAC name of 1-[1-(4-methylphenyl)triazol-4-yl]-N-[3-[[1-(4-methylphenyl)triazol-4-yl]methylideneamino]pentyl]methanimine (CID 132938374) is 1-[1-(4-methylphenyl)triazol-4-yl]-N-[3-[[1-(4-methylphenyl)triazol-4-yl]methylideneamino]pentyl]methanimine.
What is the SMILES notation for 1-[1-(4-methylphenyl)triazol-4-yl]-N-[3-[[1-(4-methylphenyl)triazol-4-yl]methylideneamino]pentyl]methanimine?
The canonical SMILES for 1-[1-(4-methylphenyl)triazol-4-yl]-N-[3-[[1-(4-methylphenyl)triazol-4-yl]methylideneamino]pentyl]methanimine is CCC(CC/N=C/c1cn(-c2ccc(C)cc2)nn1)/N=C/c1cn(-c2ccc(C)cc2)nn1.
What is the InChIKey of 1-[1-(4-methylphenyl)triazol-4-yl]-N-[3-[[1-(4-methylphenyl)triazol-4-yl]methylideneamino]pentyl]methanimine?
The InChIKey is KPZILKNQOJMUAE-JQMRRPHZSA-N. The full InChI is InChI=1S/C25H28N8/c1-4-21(27-16-23-18-33(31-29-23)25-11-7-20(3)8-12-25)13-14-26-15-22-17-32(30-28-22)24-9-5-19(2)6-10-24/h5-12,15-18,21H,4,13-14H2,1-3H3/b26-15+,27-16+.
What are the key properties of 1-[1-(4-methylphenyl)triazol-4-yl]-N-[3-[[1-(4-methylphenyl)triazol-4-yl]methylideneamino]pentyl]methanimine?
1-[1-(4-methylphenyl)triazol-4-yl]-N-[3-[[1-(4-methylphenyl)triazol-4-yl]methylideneamino]pentyl]methanimine has a molecular weight of 440.56 g/mol, XLogP of 4.17, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)triazol-4-yl]-N-[3-[[1-(4-methylphenyl)triazol-4-yl]methylideneamino]pentyl]methanimine is sourced from PubChem (CID 132938374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).