N-[2-(tert-butylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-N-ethyl-2,2,2-trifluoroacetamide

C11H16F3N5O2 — CID 136659786

IUPACN-[2-(tert-butylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-N-ethyl-2,2,2-trifluoroacetamide
SMILESCCN(C(=O)C(F)(F)F)c1nc(NC(C)(C)C)[nH]c(=O)n1
InChIInChI=1S/C11H16F3N5O2/c1-5-19(6(20)11(12,13)14)8-15-7(16-9(21)17-8)18-10(2,3)4/h5H2,1-4H3,(H2,15,16,17,18,21)
InChIKeyHNIOZFAQZIDXNR-UHFFFAOYSA-N
MW307.28 g/mol
LogP1.29
Rot. Bonds3

About N-[2-(tert-butylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-N-ethyl-2,2,2-trifluoroacetamide

N-[2-(tert-butylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-N-ethyl-2,2,2-trifluoroacetamide (PubChem CID 136659786) has the molecular formula C11H16F3N5O2 and a molecular weight of 307.28 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-N-ethyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-N-ethyl-2,2,2-trifluoroacetamide
PubChem CID136659786
Molecular FormulaC11H16F3N5O2
Molecular Weight307.28 g/mol
Exact Mass307.13
IUPAC NameN-[2-(tert-butylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-N-ethyl-2,2,2-trifluoroacetamide
SMILESCCN(C(=O)C(F)(F)F)c1nc(NC(C)(C)C)[nH]c(=O)n1
InChIInChI=1S/C11H16F3N5O2/c1-5-19(6(20)11(12,13)14)8-15-7(16-9(21)17-8)18-10(2,3)4/h5H2,1-4H3,(H2,15,16,17,18,21)
InChIKeyHNIOZFAQZIDXNR-UHFFFAOYSA-N
XLogP1.29
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-N-ethyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(tert-butylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-N-ethyl-2,2,2-trifluoroacetamide (CID 136659786) is N-[2-(tert-butylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-N-ethyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-N-ethyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(tert-butylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-N-ethyl-2,2,2-trifluoroacetamide is CCN(C(=O)C(F)(F)F)c1nc(NC(C)(C)C)[nH]c(=O)n1.
What is the InChIKey of N-[2-(tert-butylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-N-ethyl-2,2,2-trifluoroacetamide?
The InChIKey is HNIOZFAQZIDXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O2/c1-5-19(6(20)11(12,13)14)8-15-7(16-9(21)17-8)18-10(2,3)4/h5H2,1-4H3,(H2,15,16,17,18,21).
What are the key properties of N-[2-(tert-butylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-N-ethyl-2,2,2-trifluoroacetamide?
N-[2-(tert-butylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-N-ethyl-2,2,2-trifluoroacetamide has a molecular weight of 307.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-N-ethyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 136659786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).