1-pyrazin-2-ylcyclopropan-1-amine;2,2,2-trifluoroacetic acid

C9H10F3N3O2 — CID 67404879

IUPAC1-pyrazin-2-ylcyclopropan-1-amine;2,2,2-trifluoroacetic acid
SMILESNC1(c2cnccn2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H9N3.C2HF3O2/c8-7(1-2-7)6-5-9-3-4-10-6;3-2(4,5)1(6)7/h3-5H,1-2,8H2;(H,6,7)
InChIKeyVOCYYTVHXLWZRC-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.06
Rot. Bonds1

About 1-pyrazin-2-ylcyclopropan-1-amine;2,2,2-trifluoroacetic acid

1-pyrazin-2-ylcyclopropan-1-amine;2,2,2-trifluoroacetic acid (PubChem CID 67404879) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 1-pyrazin-2-ylcyclopropan-1-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-pyrazin-2-ylcyclopropan-1-amine;2,2,2-trifluoroacetic acid
PubChem CID67404879
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name1-pyrazin-2-ylcyclopropan-1-amine;2,2,2-trifluoroacetic acid
SMILESNC1(c2cnccn2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H9N3.C2HF3O2/c8-7(1-2-7)6-5-9-3-4-10-6;3-2(4,5)1(6)7/h3-5H,1-2,8H2;(H,6,7)
InChIKeyVOCYYTVHXLWZRC-UHFFFAOYSA-N
XLogP1.06
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Fluoro-3-(piperidin-4-yl)pyrazine 2,2,2-trifluoroacetate
CID 66986050
[(1-Pyrazin-2-ylcyclopropyl)amino] 2,2,2-trifluoroacetate
CID 87462425
1-[6-(Difluoromethyl)pyrazin-2-yl]cyclopropan-1-amine
CID 84769585
1-[5-(Difluoromethyl)pyrazin-2-yl]cyclopropan-1-amine
CID 84769586
3-Cyclopropylpyrazin-2-amine 2,2,2-trifluoroacetate
CID 131677194
2,2-Difluoro-1-(5-methylpyrazin-2-yl)cyclopropan-1-amine
CID 165654533
2,2-Difluoro-1-(pyrazin-2-yl)cyclopropan-1-amine
CID 165695150
(1-Pyrazin-2-ylcyclopropyl)carbamic acid
CID 90991506
[1-(5-Methylpyrazin-2-yl)cyclopropyl]carbamic acid
CID 157434594
2-((Cyclopropyl(pyrazin-2-yl)methyl)amino)aceticacid
CID 121230346

Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-ylcyclopropan-1-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-pyrazin-2-ylcyclopropan-1-amine;2,2,2-trifluoroacetic acid (CID 67404879) is 1-pyrazin-2-ylcyclopropan-1-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-pyrazin-2-ylcyclopropan-1-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-pyrazin-2-ylcyclopropan-1-amine;2,2,2-trifluoroacetic acid is NC1(c2cnccn2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-pyrazin-2-ylcyclopropan-1-amine;2,2,2-trifluoroacetic acid?
The InChIKey is VOCYYTVHXLWZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3.C2HF3O2/c8-7(1-2-7)6-5-9-3-4-10-6;3-2(4,5)1(6)7/h3-5H,1-2,8H2;(H,6,7).
What are the key properties of 1-pyrazin-2-ylcyclopropan-1-amine;2,2,2-trifluoroacetic acid?
1-pyrazin-2-ylcyclopropan-1-amine;2,2,2-trifluoroacetic acid has a molecular weight of 249.19 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-ylcyclopropan-1-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67404879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).