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

C19H22N4 — CID 94938674

IUPAC[5-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)triazol-4-yl]methanamine
SMILESCc1cc(C)cc(-n2nnc(CN)c2-c2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H22N4/c1-12-7-13(2)9-17(8-12)23-19(18(11-20)21-22-23)16-6-5-14(3)15(4)10-16/h5-10H,11,20H2,1-4H3
InChIKeyKVWAMXYIRSFMHW-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.63
Rot. Bonds3

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

[5-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)triazol-4-yl]methanamine (PubChem CID 94938674) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is [5-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)triazol-4-yl]methanamine
PubChem CID94938674
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name[5-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)triazol-4-yl]methanamine
SMILESCc1cc(C)cc(-n2nnc(CN)c2-c2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H22N4/c1-12-7-13(2)9-17(8-12)23-19(18(11-20)21-22-23)16-6-5-14(3)15(4)10-16/h5-10H,11,20H2,1-4H3
InChIKeyKVWAMXYIRSFMHW-UHFFFAOYSA-N
XLogP3.63
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)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

[1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82196160
[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
[5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine
CID 94938003
[1-(3,5-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol
CID 82198742
3-[4-(aminomethyl)-5-(3,4-dimethylphenyl)triazol-1-yl]propane-1,2-diol
CID 82210363
[1-(2,4-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine
CID 82198604
[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82196353
[5-(2-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine
CID 82198074
[1-(3-chloro-4-methylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine
CID 94938737
[5-(3,4-difluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine
CID 94962757
[5-(4-methylphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82221146

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)triazol-4-yl]methanamine?
The IUPAC name of [5-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)triazol-4-yl]methanamine (CID 94938674) is [5-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)triazol-4-yl]methanamine?
The canonical SMILES for [5-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)triazol-4-yl]methanamine is Cc1cc(C)cc(-n2nnc(CN)c2-c2ccc(C)c(C)c2)c1.
What is the InChIKey of [5-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)triazol-4-yl]methanamine?
The InChIKey is KVWAMXYIRSFMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-12-7-13(2)9-17(8-12)23-19(18(11-20)21-22-23)16-6-5-14(3)15(4)10-16/h5-10H,11,20H2,1-4H3.
What are the key properties of [5-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)triazol-4-yl]methanamine?
[5-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)triazol-4-yl]methanamine has a molecular weight of 306.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 94938674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).