N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)methanimine

C12H14N4 — CID 761592

IUPACN-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)methanimine
SMILESCc1cccc(C=Nn2c(C)nnc2C)c1
InChIInChI=1S/C12H14N4/c1-9-5-4-6-12(7-9)8-13-16-10(2)14-15-11(16)3/h4-8H,1-3H3
InChIKeySWHDFEXAOKTZNV-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.09
Rot. Bonds2

About N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)methanimine

N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)methanimine (PubChem CID 761592) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)methanimine.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)methanimine
PubChem CID761592
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC NameN-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)methanimine
SMILESCc1cccc(C=Nn2c(C)nnc2C)c1
InChIInChI=1S/C12H14N4/c1-9-5-4-6-12(7-9)8-13-16-10(2)14-15-11(16)3/h4-8H,1-3H3
InChIKeySWHDFEXAOKTZNV-UHFFFAOYSA-N
XLogP2.09
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)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 N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)methanimine?
The IUPAC name of N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)methanimine (CID 761592) is N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)methanimine.
What is the SMILES notation for N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)methanimine?
The canonical SMILES for N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)methanimine is Cc1cccc(C=Nn2c(C)nnc2C)c1.
What is the InChIKey of N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)methanimine?
The InChIKey is SWHDFEXAOKTZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-9-5-4-6-12(7-9)8-13-16-10(2)14-15-11(16)3/h4-8H,1-3H3.
What are the key properties of N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)methanimine?
N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)methanimine has a molecular weight of 214.27 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)methanimine is sourced from PubChem (CID 761592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).