4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide

C7H7F3N4O — CID 140726384

IUPAC4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide
SMILESC[C@@H](c1ncnc(C(N)=O)n1)C(F)(F)F
InChIInChI=1S/C7H7F3N4O/c1-3(7(8,9)10)5-12-2-13-6(14-5)4(11)15/h2-3H,1H3,(H2,11,15)/t3-/m0/s1
InChIKeyLRZXBDRUJKNNLP-VKHMYHEASA-N
MW220.15 g/mol
LogP0.64
Rot. Bonds2

About 4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide

4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide (PubChem CID 140726384) has the molecular formula C7H7F3N4O and a molecular weight of 220.15 g/mol. Its IUPAC name is 4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide
PubChem CID140726384
Molecular FormulaC7H7F3N4O
Molecular Weight220.15 g/mol
Exact Mass220.06
IUPAC Name4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide
SMILESC[C@@H](c1ncnc(C(N)=O)n1)C(F)(F)F
InChIInChI=1S/C7H7F3N4O/c1-3(7(8,9)10)5-12-2-13-6(14-5)4(11)15/h2-3H,1H3,(H2,11,15)/t3-/m0/s1
InChIKeyLRZXBDRUJKNNLP-VKHMYHEASA-N
XLogP0.64
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2,2-Trifluoroethyl)-1,3,5-triazine-2-carboxamide
CID 140726370
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-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide (CID 140726384) is 4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide is C[C@@H](c1ncnc(C(N)=O)n1)C(F)(F)F.
What is the InChIKey of 4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide?
The InChIKey is LRZXBDRUJKNNLP-VKHMYHEASA-N. The full InChI is InChI=1S/C7H7F3N4O/c1-3(7(8,9)10)5-12-2-13-6(14-5)4(11)15/h2-3H,1H3,(H2,11,15)/t3-/m0/s1.
What are the key properties of 4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide?
4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide has a molecular weight of 220.15 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 140726384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).