5-(trifluoromethyl)-1,2,4-triazin-3-amine

C4H3F3N4 — CID 11542832

IUPAC5-(trifluoromethyl)-1,2,4-triazin-3-amine
SMILESNc1nncc(C(F)(F)F)n1
InChIInChI=1S/C4H3F3N4/c5-4(6,7)2-1-9-11-3(8)10-2/h1H,(H2,8,10,11)
InChIKeyRMMXULAVPASGOF-UHFFFAOYSA-N
MW164.09 g/mol
LogP0.47
Rot. Bonds

About 5-(trifluoromethyl)-1,2,4-triazin-3-amine

5-(trifluoromethyl)-1,2,4-triazin-3-amine (PubChem CID 11542832) has the molecular formula C4H3F3N4 and a molecular weight of 164.09 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(trifluoromethyl)-1,2,4-triazin-3-amine
PubChem CID11542832
Molecular FormulaC4H3F3N4
Molecular Weight164.09 g/mol
Exact Mass164.03
IUPAC Name5-(trifluoromethyl)-1,2,4-triazin-3-amine
SMILESNc1nncc(C(F)(F)F)n1
InChIInChI=1S/C4H3F3N4/c5-4(6,7)2-1-9-11-3(8)10-2/h1H,(H2,8,10,11)
InChIKeyRMMXULAVPASGOF-UHFFFAOYSA-N
XLogP0.47
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.09
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(trifluoromethyl)-1,2,4-triazin-3-amine (CID 11542832) is 5-(trifluoromethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(trifluoromethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(trifluoromethyl)-1,2,4-triazin-3-amine is Nc1nncc(C(F)(F)F)n1.
What is the InChIKey of 5-(trifluoromethyl)-1,2,4-triazin-3-amine?
The InChIKey is RMMXULAVPASGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N4/c5-4(6,7)2-1-9-11-3(8)10-2/h1H,(H2,8,10,11).
What are the key properties of 5-(trifluoromethyl)-1,2,4-triazin-3-amine?
5-(trifluoromethyl)-1,2,4-triazin-3-amine has a molecular weight of 164.09 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 11542832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).