5-N-(2,4-dimethylphenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine

C19H21N5 — CID 112949106

IUPAC5-N-(2,4-dimethylphenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
SMILESCc1ccc(Nc2cnnc(NC(C)c3ccccc3)n2)c(C)c1
InChIInChI=1S/C19H21N5/c1-13-9-10-17(14(2)11-13)22-18-12-20-24-19(23-18)21-15(3)16-7-5-4-6-8-16/h4-12,15H,1-3H3,(H2,21,22,23,24)
InChIKeyKSHZNYSVIYPIJF-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.41
Rot. Bonds5

About 5-N-(2,4-dimethylphenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine

5-N-(2,4-dimethylphenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112949106) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-N-(2,4-dimethylphenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,4-dimethylphenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
PubChem CID112949106
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name5-N-(2,4-dimethylphenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
SMILESCc1ccc(Nc2cnnc(NC(C)c3ccccc3)n2)c(C)c1
InChIInChI=1S/C19H21N5/c1-13-9-10-17(14(2)11-13)22-18-12-20-24-19(23-18)21-15(3)16-7-5-4-6-8-16/h4-12,15H,1-3H3,(H2,21,22,23,24)
InChIKeyKSHZNYSVIYPIJF-UHFFFAOYSA-N
XLogP4.41
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-(2,4-dimethylphenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine 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-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112949181
3-N-benzyl-5-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947761
5-N-(2,4-dimethylphenyl)-3-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962950
5-N-[(3-methylphenyl)methyl]-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112948202
5-N-(2,3-dimethylphenyl)-3-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963040
4-N-(2,5-dimethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916812
3-N-(2,4-dimethylphenyl)-5-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine
CID 112959570
5-N-benzyl-3-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947589
5-N-(3-chloro-4-fluorophenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112949132
3-N-butyl-5-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112940162
5-N-(2,4-dimethylphenyl)-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112962462
3-N-(2,4-dimethylphenyl)-5-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112963071

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,4-dimethylphenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(2,4-dimethylphenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine (CID 112949106) is 5-N-(2,4-dimethylphenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(2,4-dimethylphenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(2,4-dimethylphenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine is Cc1ccc(Nc2cnnc(NC(C)c3ccccc3)n2)c(C)c1.
What is the InChIKey of 5-N-(2,4-dimethylphenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is KSHZNYSVIYPIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-13-9-10-17(14(2)11-13)22-18-12-20-24-19(23-18)21-15(3)16-7-5-4-6-8-16/h4-12,15H,1-3H3,(H2,21,22,23,24).
What are the key properties of 5-N-(2,4-dimethylphenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine?
5-N-(2,4-dimethylphenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 319.41 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,4-dimethylphenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112949106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).