3-amino-1,1,1-trifluoro-2-pyrazin-2-ylpentan-2-ol

C9H12F3N3O — CID 63970893

IUPAC3-amino-1,1,1-trifluoro-2-pyrazin-2-ylpentan-2-ol
SMILESCCC(N)C(O)(c1cnccn1)C(F)(F)F
InChIInChI=1S/C9H12F3N3O/c1-2-6(13)8(16,9(10,11)12)7-5-14-3-4-15-7/h3-6,16H,2,13H2,1H3
InChIKeyTYYIUPMSDPUKHW-UHFFFAOYSA-N
MW235.21 g/mol
LogP0.96
Rot. Bonds3

About 3-amino-1,1,1-trifluoro-2-pyrazin-2-ylpentan-2-ol

3-amino-1,1,1-trifluoro-2-pyrazin-2-ylpentan-2-ol (PubChem CID 63970893) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-pyrazin-2-ylpentan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-pyrazin-2-ylpentan-2-ol
PubChem CID63970893
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name3-amino-1,1,1-trifluoro-2-pyrazin-2-ylpentan-2-ol
SMILESCCC(N)C(O)(c1cnccn1)C(F)(F)F
InChIInChI=1S/C9H12F3N3O/c1-2-6(13)8(16,9(10,11)12)7-5-14-3-4-15-7/h3-6,16H,2,13H2,1H3
InChIKeyTYYIUPMSDPUKHW-UHFFFAOYSA-N
XLogP0.96
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-pyrazin-2-ylpentan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-pyrazin-2-ylpentan-2-ol (CID 63970893) is 3-amino-1,1,1-trifluoro-2-pyrazin-2-ylpentan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-pyrazin-2-ylpentan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-pyrazin-2-ylpentan-2-ol is CCC(N)C(O)(c1cnccn1)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-pyrazin-2-ylpentan-2-ol?
The InChIKey is TYYIUPMSDPUKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-2-6(13)8(16,9(10,11)12)7-5-14-3-4-15-7/h3-6,16H,2,13H2,1H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-pyrazin-2-ylpentan-2-ol?
3-amino-1,1,1-trifluoro-2-pyrazin-2-ylpentan-2-ol has a molecular weight of 235.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-pyrazin-2-ylpentan-2-ol is sourced from PubChem (CID 63970893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).