(4-amino-1,3,5-triazin-2-yl) 2,2,2-trifluoroacetate

C5H3F3N4O2 — CID 174973765

IUPAC(4-amino-1,3,5-triazin-2-yl) 2,2,2-trifluoroacetate
SMILESNc1ncnc(OC(=O)C(F)(F)F)n1
InChIInChI=1S/C5H3F3N4O2/c6-5(7,8)2(13)14-4-11-1-10-3(9)12-4/h1H,(H2,9,10,11,12)
InChIKeyLDJUMOPFCVPSNO-UHFFFAOYSA-N
MW208.10 g/mol
LogP-0.08
Rot. Bonds1

About (4-amino-1,3,5-triazin-2-yl) 2,2,2-trifluoroacetate

(4-amino-1,3,5-triazin-2-yl) 2,2,2-trifluoroacetate (PubChem CID 174973765) has the molecular formula C5H3F3N4O2 and a molecular weight of 208.10 g/mol. Its IUPAC name is (4-amino-1,3,5-triazin-2-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(4-amino-1,3,5-triazin-2-yl) 2,2,2-trifluoroacetate
PubChem CID174973765
Molecular FormulaC5H3F3N4O2
Molecular Weight208.10 g/mol
Exact Mass208.02
IUPAC Name(4-amino-1,3,5-triazin-2-yl) 2,2,2-trifluoroacetate
SMILESNc1ncnc(OC(=O)C(F)(F)F)n1
InChIInChI=1S/C5H3F3N4O2/c6-5(7,8)2(13)14-4-11-1-10-3(9)12-4/h1H,(H2,9,10,11,12)
InChIKeyLDJUMOPFCVPSNO-UHFFFAOYSA-N
XLogP-0.08
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-Triazin-2-yl 2,2,2-trifluoroacetate
CID 129697213
1,3,5-Triazine;2,2,2-trifluoroacetic acid
CID 161398815
1,3,5-Triazine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 162334623

Frequently Asked Questions

What is the IUPAC name of (4-amino-1,3,5-triazin-2-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (4-amino-1,3,5-triazin-2-yl) 2,2,2-trifluoroacetate (CID 174973765) is (4-amino-1,3,5-triazin-2-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (4-amino-1,3,5-triazin-2-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (4-amino-1,3,5-triazin-2-yl) 2,2,2-trifluoroacetate is Nc1ncnc(OC(=O)C(F)(F)F)n1.
What is the InChIKey of (4-amino-1,3,5-triazin-2-yl) 2,2,2-trifluoroacetate?
The InChIKey is LDJUMOPFCVPSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N4O2/c6-5(7,8)2(13)14-4-11-1-10-3(9)12-4/h1H,(H2,9,10,11,12).
What are the key properties of (4-amino-1,3,5-triazin-2-yl) 2,2,2-trifluoroacetate?
(4-amino-1,3,5-triazin-2-yl) 2,2,2-trifluoroacetate has a molecular weight of 208.10 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,3,5-triazin-2-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 174973765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).