6-(4-ethylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine

C13H16N4 — CID 116823552

IUPAC6-(4-ethylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
SMILESCCc1ccc(-c2nnc(C)nc2NC)cc1
InChIInChI=1S/C13H16N4/c1-4-10-5-7-11(8-6-10)12-13(14-3)15-9(2)16-17-12/h5-8H,4H2,1-3H3,(H,14,15,16)
InChIKeyYTLKTJLOWCYPJO-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.45
Rot. Bonds3

About 6-(4-ethylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine

6-(4-ethylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine (PubChem CID 116823552) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(4-ethylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
PubChem CID116823552
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name6-(4-ethylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
SMILESCCc1ccc(-c2nnc(C)nc2NC)cc1
InChIInChI=1S/C13H16N4/c1-4-10-5-7-11(8-6-10)12-13(14-3)15-9(2)16-17-12/h5-8H,4H2,1-3H3,(H,14,15,16)
InChIKeyYTLKTJLOWCYPJO-UHFFFAOYSA-N
XLogP2.45
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-ethyl-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
CID 116823593
6-(4-fluoro-3-methylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
CID 116823562
6-ethyl-2-(4-ethylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 63562088
2-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 123997974
4-(4-ethylphenyl)-N-methylaniline
CID 83639646
N-methyl-6-(4-propylphenyl)-1,2,4-triazin-5-amine
CID 116823140
2-(4-ethylphenyl)-N,8-dimethylquinazolin-4-amine
CID 64981181
2-(4-ethylphenyl)-N-methylquinazolin-4-amine
CID 63500302
6-(4-ethylphenyl)-N-methylpyridazin-3-amine
CID 62202685
5-(4-ethylphenyl)-N-methylpyridin-2-amine
CID 143417999
5-bromo-6-tert-butyl-2-(4-ethylphenyl)-N-methylpyrimidin-4-amine
CID 66304825
5-bromo-2-(4-ethylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66301290

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine?
The IUPAC name of 6-(4-ethylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine (CID 116823552) is 6-(4-ethylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(4-ethylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(4-ethylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine is CCc1ccc(-c2nnc(C)nc2NC)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine?
The InChIKey is YTLKTJLOWCYPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-4-10-5-7-11(8-6-10)12-13(14-3)15-9(2)16-17-12/h5-8H,4H2,1-3H3,(H,14,15,16).
What are the key properties of 6-(4-ethylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine?
6-(4-ethylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine has a molecular weight of 228.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).