N-[(E)-[(4,5-dimethyltriazol-2-yl)-(4-methylphenyl)methylidene]amino]aniline

C18H19N5 — CID 14616725

IUPACN-[(E)-[(4,5-dimethyltriazol-2-yl)-(4-methylphenyl)methylidene]amino]aniline
SMILESCc1ccc(/C(=N\Nc2ccccc2)n2nc(C)c(C)n2)cc1
InChIInChI=1S/C18H19N5/c1-13-9-11-16(12-10-13)18(23-21-14(2)15(3)22-23)20-19-17-7-5-4-6-8-17/h4-12,19H,1-3H3/b20-18+
InChIKeyJUEGCFRWSPAALL-CZIZESTLSA-N
MW305.38 g/mol
LogP3.53
Rot. Bonds3

About N-[(E)-[(4,5-dimethyltriazol-2-yl)-(4-methylphenyl)methylidene]amino]aniline

N-[(E)-[(4,5-dimethyltriazol-2-yl)-(4-methylphenyl)methylidene]amino]aniline (PubChem CID 14616725) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(E)-[(4,5-dimethyltriazol-2-yl)-(4-methylphenyl)methylidene]amino]aniline.

Molecular Properties

Compound NameN-[(E)-[(4,5-dimethyltriazol-2-yl)-(4-methylphenyl)methylidene]amino]aniline
PubChem CID14616725
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC NameN-[(E)-[(4,5-dimethyltriazol-2-yl)-(4-methylphenyl)methylidene]amino]aniline
SMILESCc1ccc(/C(=N\Nc2ccccc2)n2nc(C)c(C)n2)cc1
InChIInChI=1S/C18H19N5/c1-13-9-11-16(12-10-13)18(23-21-14(2)15(3)22-23)20-19-17-7-5-4-6-8-17/h4-12,19H,1-3H3/b20-18+
InChIKeyJUEGCFRWSPAALL-CZIZESTLSA-N
XLogP3.53
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[(4,5-dimethyltriazol-2-yl)-(4-methylphenyl)methylidene]amino]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-Bis(4-methylphenyl)-2-phenyltriazole
CID 12519717
4-[5-(4-carbamimidoylphenyl)-2H-triazol-4-yl]benzamidine
CID 71593949
4-[5-(4-Carbamimidoylphenyl)-2-phenyl-triazol-4-yl]benzamidine
CID 71593965
4-[2-(4-Carbamimidoylphenyl)-5-phenyl-triazol-4-yl]benzamidine
CID 71593967
N-[(E)-[(4,5-dimethyltriazol-2-yl)-phenylmethylidene]amino]aniline
CID 14381184
1,5-Diphenyl-3-(p-tolyl)formazan
CID 3837287
3-(4,5-Dimethyltriazol-2yl)-2,5 diphenyltetrazolium bromide
CID 22403012
2-(4,5-Dimethyltriazol-2-yl)-3,5-diphenyltetrazol-3-ium
CID 22465243
2-(4,5-Dimethyltriazol-2-yl)-2,5-diphenyltetrazol-2-ium
CID 67359495
4-(5-phenyl-2H-triazol-4-yl)aniline
CID 153311532
CID 6375937
CID 6375937
N-[(Z)-[(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethylidene]amino]aniline
CID 13415358

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(4,5-dimethyltriazol-2-yl)-(4-methylphenyl)methylidene]amino]aniline?
The IUPAC name of N-[(E)-[(4,5-dimethyltriazol-2-yl)-(4-methylphenyl)methylidene]amino]aniline (CID 14616725) is N-[(E)-[(4,5-dimethyltriazol-2-yl)-(4-methylphenyl)methylidene]amino]aniline.
What is the SMILES notation for N-[(E)-[(4,5-dimethyltriazol-2-yl)-(4-methylphenyl)methylidene]amino]aniline?
The canonical SMILES for N-[(E)-[(4,5-dimethyltriazol-2-yl)-(4-methylphenyl)methylidene]amino]aniline is Cc1ccc(/C(=N\Nc2ccccc2)n2nc(C)c(C)n2)cc1.
What is the InChIKey of N-[(E)-[(4,5-dimethyltriazol-2-yl)-(4-methylphenyl)methylidene]amino]aniline?
The InChIKey is JUEGCFRWSPAALL-CZIZESTLSA-N. The full InChI is InChI=1S/C18H19N5/c1-13-9-11-16(12-10-13)18(23-21-14(2)15(3)22-23)20-19-17-7-5-4-6-8-17/h4-12,19H,1-3H3/b20-18+.
What are the key properties of N-[(E)-[(4,5-dimethyltriazol-2-yl)-(4-methylphenyl)methylidene]amino]aniline?
N-[(E)-[(4,5-dimethyltriazol-2-yl)-(4-methylphenyl)methylidene]amino]aniline has a molecular weight of 305.38 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(4,5-dimethyltriazol-2-yl)-(4-methylphenyl)methylidene]amino]aniline is sourced from PubChem (CID 14616725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).