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

C4H3F3N4O — CID 142632733

IUPAC4-(trifluoromethoxy)-1,3,5-triazin-2-amine
SMILESNc1ncnc(OC(F)(F)F)n1
InChIInChI=1S/C4H3F3N4O/c5-4(6,7)12-3-10-1-9-2(8)11-3/h1H,(H2,8,9,10,11)
InChIKeyQYTKMQLQURJJCQ-UHFFFAOYSA-N
MW180.09 g/mol
LogP0.35
Rot. Bonds1

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

4-(trifluoromethoxy)-1,3,5-triazin-2-amine (PubChem CID 142632733) has the molecular formula C4H3F3N4O and a molecular weight of 180.09 g/mol. Its IUPAC name is 4-(trifluoromethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(trifluoromethoxy)-1,3,5-triazin-2-amine
PubChem CID142632733
Molecular FormulaC4H3F3N4O
Molecular Weight180.09 g/mol
Exact Mass180.03
IUPAC Name4-(trifluoromethoxy)-1,3,5-triazin-2-amine
SMILESNc1ncnc(OC(F)(F)F)n1
InChIInChI=1S/C4H3F3N4O/c5-4(6,7)12-3-10-1-9-2(8)11-3/h1H,(H2,8,9,10,11)
InChIKeyQYTKMQLQURJJCQ-UHFFFAOYSA-N
XLogP0.35
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.09
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Amino-fluoro-s-triazine
CID 20081031
2-Trifluoro-methoxy-1,3,5-triazine
CID 21749684
2-Fluoro-4-(trifluoromethoxy)-1,3,5-triazine
CID 19104342
2,4-Bis(trifluoromethoxy)-1,3,5-triazine
CID 19104346
2-Chloro-4-(trifluoromethoxy)-1,3,5-triazine
CID 19104351
2-[Chloro(difluoro)methoxy]-1,3,5-triazine
CID 19104360
2-Methoxy-4-(trifluoromethoxy)-1,3,5-triazine
CID 19777656
4-[chloro(difluoro)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine
CID 56981742
2-(Difluoromethoxy)-1,3,5-triazine
CID 70378207
2-Chloro-4-(difluoromethoxy)-1,3,5-triazine
CID 88425688
2,4-Bis(difluoromethoxy)-1,3,5-triazine
CID 91351378
4-(2,2,2-Trifluoroethoxy)-1,3,5-triazin-2-amine
CID 140573842

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(trifluoromethoxy)-1,3,5-triazin-2-amine (CID 142632733) is 4-(trifluoromethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(trifluoromethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(trifluoromethoxy)-1,3,5-triazin-2-amine is Nc1ncnc(OC(F)(F)F)n1.
What is the InChIKey of 4-(trifluoromethoxy)-1,3,5-triazin-2-amine?
The InChIKey is QYTKMQLQURJJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N4O/c5-4(6,7)12-3-10-1-9-2(8)11-3/h1H,(H2,8,9,10,11).
What are the key properties of 4-(trifluoromethoxy)-1,3,5-triazin-2-amine?
4-(trifluoromethoxy)-1,3,5-triazin-2-amine has a molecular weight of 180.09 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 142632733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).