3-methyl-6-(2,4,5-trimethylphenyl)-1,2,4-triazin-5-amine

C13H16N4 — CID 116823472

IUPAC3-methyl-6-(2,4,5-trimethylphenyl)-1,2,4-triazin-5-amine
SMILESCc1nnc(-c2cc(C)c(C)cc2C)c(N)n1
InChIInChI=1S/C13H16N4/c1-7-5-9(3)11(6-8(7)2)12-13(14)15-10(4)16-17-12/h5-6H,1-4H3,(H2,14,15,16)
InChIKeyZXLLKEZEFRGYCY-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.35
Rot. Bonds1

About 3-methyl-6-(2,4,5-trimethylphenyl)-1,2,4-triazin-5-amine

3-methyl-6-(2,4,5-trimethylphenyl)-1,2,4-triazin-5-amine (PubChem CID 116823472) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-methyl-6-(2,4,5-trimethylphenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-methyl-6-(2,4,5-trimethylphenyl)-1,2,4-triazin-5-amine
PubChem CID116823472
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name3-methyl-6-(2,4,5-trimethylphenyl)-1,2,4-triazin-5-amine
SMILESCc1nnc(-c2cc(C)c(C)cc2C)c(N)n1
InChIInChI=1S/C13H16N4/c1-7-5-9(3)11(6-8(7)2)12-13(14)15-10(4)16-17-12/h5-6H,1-4H3,(H2,14,15,16)
InChIKeyZXLLKEZEFRGYCY-UHFFFAOYSA-N
XLogP2.35
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-6-(2,4,5-trimethylphenyl)-1,2,4-triazin-5-amine 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

6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine
CID 116823436
3-methyl-6-(3-methylphenyl)-1,2,4-triazin-5-amine
CID 116823512
6-(3,4-dichlorophenyl)-3-methyl-1,2,4-triazin-5-amine
CID 116823509
2-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-5-amine
CID 82475382
5-methyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine
CID 80976141
6-(1-benzothiophen-3-yl)-3-methyl-1,2,4-triazin-5-amine
CID 116823524
6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1,2,4-triazin-5-amine
CID 116823432
6-(2,3-dichloro-4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 142074168
N,5-dimethyl-4-(2,4,5-trimethylphenyl)-1,3-oxazol-2-amine
CID 116832613
4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-amine
CID 82480345
3-amino-4-(2,4,5-trimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 82478941
6-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 15764367

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(2,4,5-trimethylphenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-methyl-6-(2,4,5-trimethylphenyl)-1,2,4-triazin-5-amine (CID 116823472) is 3-methyl-6-(2,4,5-trimethylphenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-methyl-6-(2,4,5-trimethylphenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-methyl-6-(2,4,5-trimethylphenyl)-1,2,4-triazin-5-amine is Cc1nnc(-c2cc(C)c(C)cc2C)c(N)n1.
What is the InChIKey of 3-methyl-6-(2,4,5-trimethylphenyl)-1,2,4-triazin-5-amine?
The InChIKey is ZXLLKEZEFRGYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-7-5-9(3)11(6-8(7)2)12-13(14)15-10(4)16-17-12/h5-6H,1-4H3,(H2,14,15,16).
What are the key properties of 3-methyl-6-(2,4,5-trimethylphenyl)-1,2,4-triazin-5-amine?
3-methyl-6-(2,4,5-trimethylphenyl)-1,2,4-triazin-5-amine has a molecular weight of 228.30 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(2,4,5-trimethylphenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).