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

C4H3F3N4 — CID 19920908

IUPAC4-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(C(F)(F)F)n1
InChIInChI=1S/C4H3F3N4/c5-4(6,7)2-9-1-10-3(8)11-2/h1H,(H2,8,9,10,11)
InChIKeyBKRBGIAVVCJSDV-UHFFFAOYSA-N
MW164.09 g/mol
LogP0.47
Rot. Bonds

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

4-(trifluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 19920908) has the molecular formula C4H3F3N4 and a molecular weight of 164.09 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,3,5-triazin-2-amine
PubChem CID19920908
Molecular FormulaC4H3F3N4
Molecular Weight164.09 g/mol
Exact Mass164.03
IUPAC Name4-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(C(F)(F)F)n1
InChIInChI=1S/C4H3F3N4/c5-4(6,7)2-9-1-10-3(8)11-2/h1H,(H2,8,9,10,11)
InChIKeyBKRBGIAVVCJSDV-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

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

4-Methyl-1,3,5-triazin-2-amine
CID 33971
(Trifluoromethyl)-sym-triazine
CID 18931040
4-Methyl-6-trifl uoromethyl-1,3,5-triazine
CID 20133964
2-N-methyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 3668328
2-Chloro-4-(trifluoromethyl)-1,3,5-triazine
CID 20134000
2-(Difluoromethyl)-1,3,5-triazine
CID 20213182
2-(1,1,2,2,3,3,3-Heptafluoropropyl)-1,3,5-triazine
CID 23165623
2-(1,1,2,2-Tetrafluoroethyl)-1,3,5-triazine
CID 23165635
N-methyl-4-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 53884362
4-(2,2,2-Trifluoroethyl)-1,3,5-triazin-2-amine
CID 63868170
4-(1,1,2-Trifluoroethyl)-1,3,5-triazin-2-amine
CID 67912023
4-(1,2,2-Trifluoroethyl)-1,3,5-triazin-2-amine
CID 67912025

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(trifluoromethyl)-1,3,5-triazin-2-amine (CID 19920908) is 4-(trifluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(trifluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(trifluoromethyl)-1,3,5-triazin-2-amine is Nc1ncnc(C(F)(F)F)n1.
What is the InChIKey of 4-(trifluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is BKRBGIAVVCJSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N4/c5-4(6,7)2-9-1-10-3(8)11-2/h1H,(H2,8,9,10,11).
What are the key properties of 4-(trifluoromethyl)-1,3,5-triazin-2-amine?
4-(trifluoromethyl)-1,3,5-triazin-2-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 4-(trifluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 19920908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).