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

C9H7FN4 — CID 116822964

IUPAC6-(4-fluorophenyl)-1,2,4-triazin-5-amine
SMILESNc1ncnnc1-c1ccc(F)cc1
InChIInChI=1S/C9H7FN4/c10-7-3-1-6(2-4-7)8-9(11)12-5-13-14-8/h1-5H,(H2,11,12,13)
InChIKeyYNFOYECJEFVWJX-UHFFFAOYSA-N
MW190.18 g/mol
LogP1.26
Rot. Bonds1

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

6-(4-fluorophenyl)-1,2,4-triazin-5-amine (PubChem CID 116822964) has the molecular formula C9H7FN4 and a molecular weight of 190.18 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1,2,4-triazin-5-amine
PubChem CID116822964
Molecular FormulaC9H7FN4
Molecular Weight190.18 g/mol
Exact Mass190.07
IUPAC Name6-(4-fluorophenyl)-1,2,4-triazin-5-amine
SMILESNc1ncnnc1-c1ccc(F)cc1
InChIInChI=1S/C9H7FN4/c10-7-3-1-6(2-4-7)8-9(11)12-5-13-14-8/h1-5H,(H2,11,12,13)
InChIKeyYNFOYECJEFVWJX-UHFFFAOYSA-N
XLogP1.26
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromophenyl)-1,2,4-triazin-5-amine
CID 116822965
6-(4-methoxyphenyl)-1,2,4-triazin-5-amine
CID 116822966
6-(4-ethoxyphenyl)-1,2,4-triazin-5-amine
CID 116822998
6-(4-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823124
6-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine
CID 116822961
4-[3-(4-fluorophenyl)pyrazin-2-yl]aniline
CID 126529174
8-fluoro-6-[5-(4-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline
CID 166666155
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
5-(4-fluorophenyl)-3-methyltriazol-4-amine
CID 83637005
5-(4-fluorophenyl)-6-methyl-1,2,4-triazin-3-amine
CID 43134540
5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28849118
3,5-bis(4-fluorophenyl)triazol-4-amine
CID 82370214

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 6-(4-fluorophenyl)-1,2,4-triazin-5-amine (CID 116822964) is 6-(4-fluorophenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(4-fluorophenyl)-1,2,4-triazin-5-amine is Nc1ncnnc1-c1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-1,2,4-triazin-5-amine?
The InChIKey is YNFOYECJEFVWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4/c10-7-3-1-6(2-4-7)8-9(11)12-5-13-14-8/h1-5H,(H2,11,12,13).
What are the key properties of 6-(4-fluorophenyl)-1,2,4-triazin-5-amine?
6-(4-fluorophenyl)-1,2,4-triazin-5-amine has a molecular weight of 190.18 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 116822964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).