[1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine

C18H20N4 — CID 82196160

IUPAC[1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine
SMILESCc1ccc(-c2c(CN)nnn2-c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H20N4/c1-12-4-7-15(8-5-12)18-17(11-19)20-21-22(18)16-9-6-13(2)14(3)10-16/h4-10H,11,19H2,1-3H3
InChIKeyNYAXWNHKSJCRRV-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.32
Rot. Bonds3

About [1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine

[1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine (PubChem CID 82196160) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is [1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine
PubChem CID82196160
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name[1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine
SMILESCc1ccc(-c2c(CN)nnn2-c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H20N4/c1-12-4-7-15(8-5-12)18-17(11-19)20-21-22(18)16-9-6-13(2)14(3)10-16/h4-10H,11,19H2,1-3H3
InChIKeyNYAXWNHKSJCRRV-UHFFFAOYSA-N
XLogP3.32
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine 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

[5-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)triazol-4-yl]methanamine
CID 94938674
[5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine
CID 94938003
[5-(3,4-difluorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine
CID 82198084
[5-(3,4-dimethylphenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine
CID 82208795
4-[4-(aminomethyl)-5-(4-methoxyphenyl)triazol-1-yl]phenol
CID 82194969
[5-(4-methylphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82221146
[1-(3-chloro-4-methylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine
CID 94938737
[1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82207457
4-(chloromethyl)-5-(4-chlorophenyl)-1-(4-methylphenyl)triazole
CID 56769724
3-[4-(aminomethyl)-5-(3,4-dimethylphenyl)triazol-1-yl]propane-1,2-diol
CID 82210363
[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82196353
4-(chloromethyl)-5-(4-fluorophenyl)-1-(4-methylphenyl)triazole
CID 56769745

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine?
The IUPAC name of [1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine (CID 82196160) is [1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine is Cc1ccc(-c2c(CN)nnn2-c2ccc(C)c(C)c2)cc1.
What is the InChIKey of [1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine?
The InChIKey is NYAXWNHKSJCRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-12-4-7-15(8-5-12)18-17(11-19)20-21-22(18)16-9-6-13(2)14(3)10-16/h4-10H,11,19H2,1-3H3.
What are the key properties of [1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine?
[1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine has a molecular weight of 292.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82196160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).