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

C10H8F2N4 — CID 116823159

IUPAC6-(3,4-difluorophenyl)-N-methyl-1,2,4-triazin-5-amine
SMILESCNc1ncnnc1-c1ccc(F)c(F)c1
InChIInChI=1S/C10H8F2N4/c1-13-10-9(16-15-5-14-10)6-2-3-7(11)8(12)4-6/h2-5H,1H3,(H,13,14,15)
InChIKeyUTUFZELNVIWHLV-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.86
Rot. Bonds2

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

6-(3,4-difluorophenyl)-N-methyl-1,2,4-triazin-5-amine (PubChem CID 116823159) has the molecular formula C10H8F2N4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-N-methyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-N-methyl-1,2,4-triazin-5-amine
PubChem CID116823159
Molecular FormulaC10H8F2N4
Molecular Weight222.20 g/mol
Exact Mass222.07
IUPAC Name6-(3,4-difluorophenyl)-N-methyl-1,2,4-triazin-5-amine
SMILESCNc1ncnnc1-c1ccc(F)c(F)c1
InChIInChI=1S/C10H8F2N4/c1-13-10-9(16-15-5-14-10)6-2-3-7(11)8(12)4-6/h2-5H,1H3,(H,13,14,15)
InChIKeyUTUFZELNVIWHLV-UHFFFAOYSA-N
XLogP1.86
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3,4-difluorophenyl)-N-methyl-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-(4-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823124
6-(3H-benzimidazol-5-yl)-N-methyl-1,2,4-triazin-5-amine
CID 116823205
N-methyl-6-(4-propylphenyl)-1,2,4-triazin-5-amine
CID 116823140
6-(3-chloro-4-ethoxyphenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823171
N-methyl-6-(2,3,5,6-tetramethylphenyl)-1,2,4-triazin-5-amine
CID 116823157
6-(2,4-dimethylphenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823137
6-(4-fluoro-3-methylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
CID 116823562
5-ethyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine
CID 115502644
6-[3-fluoro-4-(trifluoromethyl)phenyl]-N,5-dimethylpyrimidin-4-amine
CID 107290483
2-(3,4-difluorophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66304716
N-methyl-6-(1H-pyrrol-2-yl)-1,2,4-triazin-5-amine
CID 116823177
N-methyl-6-(3-methylthiophen-2-yl)-1,2,4-triazin-5-amine
CID 116823253

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-N-methyl-1,2,4-triazin-5-amine?
The IUPAC name of 6-(3,4-difluorophenyl)-N-methyl-1,2,4-triazin-5-amine (CID 116823159) is 6-(3,4-difluorophenyl)-N-methyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(3,4-difluorophenyl)-N-methyl-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(3,4-difluorophenyl)-N-methyl-1,2,4-triazin-5-amine is CNc1ncnnc1-c1ccc(F)c(F)c1.
What is the InChIKey of 6-(3,4-difluorophenyl)-N-methyl-1,2,4-triazin-5-amine?
The InChIKey is UTUFZELNVIWHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4/c1-13-10-9(16-15-5-14-10)6-2-3-7(11)8(12)4-6/h2-5H,1H3,(H,13,14,15).
What are the key properties of 6-(3,4-difluorophenyl)-N-methyl-1,2,4-triazin-5-amine?
6-(3,4-difluorophenyl)-N-methyl-1,2,4-triazin-5-amine has a molecular weight of 222.20 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-N-methyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).