1,3,5-triazine-2,4-diamine;2,2,2-trifluoroacetic acid

C5H6F3N5O2 — CID 162334623

IUPAC1,3,5-triazine-2,4-diamine;2,2,2-trifluoroacetic acid
SMILESNc1ncnc(N)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C3H5N5.C2HF3O2/c4-2-6-1-7-3(5)8-2;3-2(4,5)1(6)7/h1H,(H4,4,5,6,7,8);(H,6,7)
InChIKeySPDAAHICDFLMNP-UHFFFAOYSA-N
MW225.13 g/mol
LogP-0.33
Rot. Bonds

About 1,3,5-triazine-2,4-diamine;2,2,2-trifluoroacetic acid

1,3,5-triazine-2,4-diamine;2,2,2-trifluoroacetic acid (PubChem CID 162334623) has the molecular formula C5H6F3N5O2 and a molecular weight of 225.13 g/mol. Its IUPAC name is 1,3,5-triazine-2,4-diamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1,3,5-triazine-2,4-diamine;2,2,2-trifluoroacetic acid
PubChem CID162334623
Molecular FormulaC5H6F3N5O2
Molecular Weight225.13 g/mol
Exact Mass225.05
IUPAC Name1,3,5-triazine-2,4-diamine;2,2,2-trifluoroacetic acid
SMILESNc1ncnc(N)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C3H5N5.C2HF3O2/c4-2-6-1-7-3(5)8-2;3-2(4,5)1(6)7/h1H,(H4,4,5,6,7,8);(H,6,7)
InChIKeySPDAAHICDFLMNP-UHFFFAOYSA-N
XLogP-0.33
TPSA128.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
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
(4-Amino-1,3,5-triazin-2-yl) 2,2,2-trifluoroacetate
CID 174973765
Acetic acid;1,3,5-triazin-2-amine
CID 174479402

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazine-2,4-diamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1,3,5-triazine-2,4-diamine;2,2,2-trifluoroacetic acid (CID 162334623) is 1,3,5-triazine-2,4-diamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1,3,5-triazine-2,4-diamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1,3,5-triazine-2,4-diamine;2,2,2-trifluoroacetic acid is Nc1ncnc(N)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 1,3,5-triazine-2,4-diamine;2,2,2-trifluoroacetic acid?
The InChIKey is SPDAAHICDFLMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N5.C2HF3O2/c4-2-6-1-7-3(5)8-2;3-2(4,5)1(6)7/h1H,(H4,4,5,6,7,8);(H,6,7).
What are the key properties of 1,3,5-triazine-2,4-diamine;2,2,2-trifluoroacetic acid?
1,3,5-triazine-2,4-diamine;2,2,2-trifluoroacetic acid has a molecular weight of 225.13 g/mol, XLogP of -0.33, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazine-2,4-diamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162334623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).