4-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide

C6H5F3N4O — CID 140726370

IUPAC4-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide
SMILESNC(=O)c1ncnc(CC(F)(F)F)n1
InChIInChI=1S/C6H5F3N4O/c7-6(8,9)1-3-11-2-12-5(13-3)4(10)14/h2H,1H2,(H2,10,14)
InChIKeyVLUSJJSKHBZPPL-UHFFFAOYSA-N
MW206.13 g/mol
LogP0.08
Rot. Bonds2

About 4-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide

4-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide (PubChem CID 140726370) has the molecular formula C6H5F3N4O and a molecular weight of 206.13 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide
PubChem CID140726370
Molecular FormulaC6H5F3N4O
Molecular Weight206.13 g/mol
Exact Mass206.04
IUPAC Name4-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide
SMILESNC(=O)c1ncnc(CC(F)(F)F)n1
InChIInChI=1S/C6H5F3N4O/c7-6(8,9)1-3-11-2-12-5(13-3)4(10)14/h2H,1H2,(H2,10,14)
InChIKeyVLUSJJSKHBZPPL-UHFFFAOYSA-N
XLogP0.08
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Carbamoyl-sym-triazine
CID 54264822
N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide
CID 140726375
4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide
CID 140726384
4-Methyl-1,3,5-triazine-2-carboxamide
CID 89902814
4-Butyl-1,3,5-triazine-2-carboxamide
CID 118936266
4-Ethyl-1,3,5-triazine-2-carboxamide
CID 140726341
4-Propan-2-yl-1,3,5-triazine-2-carboxamide
CID 140726361

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide (CID 140726370) is 4-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide is NC(=O)c1ncnc(CC(F)(F)F)n1.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide?
The InChIKey is VLUSJJSKHBZPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N4O/c7-6(8,9)1-3-11-2-12-5(13-3)4(10)14/h2H,1H2,(H2,10,14).
What are the key properties of 4-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide?
4-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide has a molecular weight of 206.13 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 140726370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).