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

C10H9FN4 — CID 116823124

IUPAC6-(4-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine
SMILESCNc1ncnnc1-c1ccc(F)cc1
InChIInChI=1S/C10H9FN4/c1-12-10-9(15-14-6-13-10)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13,14)
InChIKeyHKPJUBGUCJVEOK-UHFFFAOYSA-N
MW204.21 g/mol
LogP1.72
Rot. Bonds2

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

6-(4-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine (PubChem CID 116823124) has the molecular formula C10H9FN4 and a molecular weight of 204.21 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine
PubChem CID116823124
Molecular FormulaC10H9FN4
Molecular Weight204.21 g/mol
Exact Mass204.08
IUPAC Name6-(4-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine
SMILESCNc1ncnnc1-c1ccc(F)cc1
InChIInChI=1S/C10H9FN4/c1-12-10-9(15-14-6-13-10)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13,14)
InChIKeyHKPJUBGUCJVEOK-UHFFFAOYSA-N
XLogP1.72
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-(4-methylphenyl)-1,2,4-triazin-5-amine
CID 116823117
6-(3,4-difluorophenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823159
N-methyl-6-(4-propylphenyl)-1,2,4-triazin-5-amine
CID 116823140
6-(3H-benzimidazol-5-yl)-N-methyl-1,2,4-triazin-5-amine
CID 116823205
6-(4-fluorophenyl)-1,2,4-triazin-5-amine
CID 116822964
N-methyl-6-(1H-pyrrol-2-yl)-1,2,4-triazin-5-amine
CID 116823177
6-(3-chloro-4-ethoxyphenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823171
N-methyl-6-(3-methylthiophen-2-yl)-1,2,4-triazin-5-amine
CID 116823253
6-(2,4-dimethylphenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823137
N-methyl-6-(2,3,5,6-tetramethylphenyl)-1,2,4-triazin-5-amine
CID 116823157
6-(1-benzothiophen-3-yl)-N-methyl-1,2,4-triazin-5-amine
CID 116823236
8-fluoro-6-[5-(4-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline
CID 166666155

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine (CID 116823124) is 6-(4-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine is CNc1ncnnc1-c1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine?
The InChIKey is HKPJUBGUCJVEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4/c1-12-10-9(15-14-6-13-10)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13,14).
What are the key properties of 6-(4-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine?
6-(4-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine has a molecular weight of 204.21 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).