pyrazin-2-amine;2,2,2-trifluoroacetic acid

C6H6F3N3O2 — CID 67551394

IUPACpyrazin-2-amine;2,2,2-trifluoroacetic acid
SMILESNc1cnccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H5N3.C2HF3O2/c5-4-3-6-1-2-7-4;3-2(4,5)1(6)7/h1-3H,(H2,5,7);(H,6,7)
InChIKeyJPCCABPOGHLXQC-UHFFFAOYSA-N
MW209.13 g/mol
LogP0.69
Rot. Bonds

About pyrazin-2-amine;2,2,2-trifluoroacetic acid

pyrazin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 67551394) has the molecular formula C6H6F3N3O2 and a molecular weight of 209.13 g/mol. Its IUPAC name is pyrazin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepyrazin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID67551394
Molecular FormulaC6H6F3N3O2
Molecular Weight209.13 g/mol
Exact Mass209.04
IUPAC Namepyrazin-2-amine;2,2,2-trifluoroacetic acid
SMILESNc1cnccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H5N3.C2HF3O2/c5-4-3-6-1-2-7-4;3-2(4,5)1(6)7/h1-3H,(H2,5,7);(H,6,7)
InChIKeyJPCCABPOGHLXQC-UHFFFAOYSA-N
XLogP0.69
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.13
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(Pyrazin-2-yl)amino]acetic acid
CID 24689556
1,3-Dihydroimidazo[4,5-b]pyrazin-2-one;2,2,2-trifluoroacetic acid
CID 68853248
3-Piperazin-1-ylpyrazin-2-amine;2,2,2-trifluoroacetic acid
CID 69885168
(Pyrazin-2-ylamino) 2,2,2-trifluoroacetate
CID 88032197
6-Bromopyrazin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 118207102
N-pyrazin-2-ylformamide;2,2,2-trifluoroacetic acid
CID 174836563
2-Pyrazin-2-ylguanidine;2,2,2-trifluoroacetic acid
CID 175219647
2-[Pyrazin-2-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257834
2-(3-Aminopyrazin-2-yl)sulfanyl-2,2-difluoroacetic acid
CID 106678061
2,2-Difluoro-3-(pyrazin-2-ylamino)propanoic acid
CID 130600674
Carbamic acid;pyrazin-2-amine
CID 66746397
Acetic acid;pyrazin-2-amine
CID 137518919

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of pyrazin-2-amine;2,2,2-trifluoroacetic acid (CID 67551394) is pyrazin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for pyrazin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for pyrazin-2-amine;2,2,2-trifluoroacetic acid is Nc1cnccn1.O=C(O)C(F)(F)F.
What is the InChIKey of pyrazin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is JPCCABPOGHLXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3.C2HF3O2/c5-4-3-6-1-2-7-4;3-2(4,5)1(6)7/h1-3H,(H2,5,7);(H,6,7).
What are the key properties of pyrazin-2-amine;2,2,2-trifluoroacetic acid?
pyrazin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 209.13 g/mol, XLogP of 0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67551394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).