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

C12H13FN4 — CID 116823562

IUPAC6-(4-fluoro-3-methylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
SMILESCNc1nc(C)nnc1-c1ccc(F)c(C)c1
InChIInChI=1S/C12H13FN4/c1-7-6-9(4-5-10(7)13)11-12(14-3)15-8(2)16-17-11/h4-6H,1-3H3,(H,14,15,16)
InChIKeyAJQOPDMLTKKEAM-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.34
Rot. Bonds2

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

6-(4-fluoro-3-methylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine (PubChem CID 116823562) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 6-(4-fluoro-3-methylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(4-fluoro-3-methylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
PubChem CID116823562
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name6-(4-fluoro-3-methylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
SMILESCNc1nc(C)nnc1-c1ccc(F)c(C)c1
InChIInChI=1S/C12H13FN4/c1-7-6-9(4-5-10(7)13)11-12(14-3)15-8(2)16-17-11/h4-6H,1-3H3,(H,14,15,16)
InChIKeyAJQOPDMLTKKEAM-UHFFFAOYSA-N
XLogP2.34
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-ethylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
CID 116823552
6-(3-fluoro-4-methylphenyl)-N,2,5-trimethylpyrimidin-4-amine
CID 113324439
6-(3-ethyl-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
CID 116823593
2-cyclopropyl-6-(4-fluoro-3-methylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 80975820
3-(3-chloro-4-fluorophenyl)-N,5,6-trimethylpyrazin-2-amine
CID 113324801
6-(4-fluoro-3-methylphenyl)-2-(methylamino)pyridine-3-carbonitrile
CID 82117516
6-chloro-2-(4-fluoro-3-methylphenyl)-N-methylquinazolin-4-amine
CID 64981216
[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]hydrazine
CID 112559565
6-(3,4-difluorophenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823159
4-(4-fluoro-3-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid
CID 82133814
6-cyclopropyl-5-(4-fluoro-3-methylphenyl)-N-methylpyrimidin-4-amine
CID 177181270
1-[3-(4-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine
CID 83850555

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3-methylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine?
The IUPAC name of 6-(4-fluoro-3-methylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine (CID 116823562) is 6-(4-fluoro-3-methylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(4-fluoro-3-methylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(4-fluoro-3-methylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine is CNc1nc(C)nnc1-c1ccc(F)c(C)c1.
What is the InChIKey of 6-(4-fluoro-3-methylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine?
The InChIKey is AJQOPDMLTKKEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-7-6-9(4-5-10(7)13)11-12(14-3)15-8(2)16-17-11/h4-6H,1-3H3,(H,14,15,16).
What are the key properties of 6-(4-fluoro-3-methylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine?
6-(4-fluoro-3-methylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine has a molecular weight of 232.26 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).