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

C6H5F3N4O — CID 140726375

IUPACN-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1ncncn1
InChIInChI=1S/C6H5F3N4O/c7-6(8,9)1-11-5(14)4-12-2-10-3-13-4/h2-3H,1H2,(H,11,14)
InChIKeyYHPGEVVHTAWURZ-UHFFFAOYSA-N
MW206.13 g/mol
LogP0.16
Rot. Bonds2

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

N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide (PubChem CID 140726375) has the molecular formula C6H5F3N4O and a molecular weight of 206.13 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide
PubChem CID140726375
Molecular FormulaC6H5F3N4O
Molecular Weight206.13 g/mol
Exact Mass206.04
IUPAC NameN-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1ncncn1
InChIInChI=1S/C6H5F3N4O/c7-6(8,9)1-11-5(14)4-12-2-10-3-13-4/h2-3H,1H2,(H,11,14)
InChIKeyYHPGEVVHTAWURZ-UHFFFAOYSA-N
XLogP0.16
TPSA67.77 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 ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide
CID 140726364
4-(2,2,2-Trifluoroethyl)-1,3,5-triazine-2-carboxamide
CID 140726370
4-methyl-N-propyl-1,3,5-triazine-2-carboxamide
CID 53853569
N-ethyl-4-methyl-1,3,5-triazine-2-carboxamide
CID 53912485
N-butyl-1,3,5-triazine-2-carboxamide
CID 67685815
N-methyl-1,3,5-triazine-2-carboxamide
CID 67979738
N-ethyl-1,3,5-triazine-2-carboxamide
CID 69760476
N-propyl-1,3,5-triazine-2-carboxamide
CID 69760590
2-N,4-N-dimethyl-1,3,5-triazine-2,4-dicarboxamide
CID 118936003
2-N,4-N-diethyl-1,3,5-triazine-2,4-dicarboxamide
CID 163241387

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide (CID 140726375) is N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide is O=C(NCC(F)(F)F)c1ncncn1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide?
The InChIKey is YHPGEVVHTAWURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N4O/c7-6(8,9)1-11-5(14)4-12-2-10-3-13-4/h2-3H,1H2,(H,11,14).
What are the key properties of N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide?
N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide has a molecular weight of 206.13 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 140726375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).