(1S)-2-(tert-butylamino)-1-[6-(trifluoromethyl)pyrazin-2-yl]ethanol

C11H16F3N3O — CID 155153937

IUPAC(1S)-2-(tert-butylamino)-1-[6-(trifluoromethyl)pyrazin-2-yl]ethanol
SMILESCC(C)(C)NC[C@H](O)c1cncc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-10(2,3)16-5-8(18)7-4-15-6-9(17-7)11(12,13)14/h4,6,8,16,18H,5H2,1-3H3/t8-/m0/s1
InChIKeyNKBBGMQYFQXWJE-QMMMGPOBSA-N
MW263.26 g/mol
LogP1.92
Rot. Bonds3

About (1S)-2-(tert-butylamino)-1-[6-(trifluoromethyl)pyrazin-2-yl]ethanol

(1S)-2-(tert-butylamino)-1-[6-(trifluoromethyl)pyrazin-2-yl]ethanol (PubChem CID 155153937) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is (1S)-2-(tert-butylamino)-1-[6-(trifluoromethyl)pyrazin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-(tert-butylamino)-1-[6-(trifluoromethyl)pyrazin-2-yl]ethanol
PubChem CID155153937
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name(1S)-2-(tert-butylamino)-1-[6-(trifluoromethyl)pyrazin-2-yl]ethanol
SMILESCC(C)(C)NC[C@H](O)c1cncc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-10(2,3)16-5-8(18)7-4-15-6-9(17-7)11(12,13)14/h4,6,8,16,18H,5H2,1-3H3/t8-/m0/s1
InChIKeyNKBBGMQYFQXWJE-QMMMGPOBSA-N
XLogP1.92
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(tert-butylamino)-1-[6-(trifluoromethyl)pyrazin-2-yl]ethanol?
The IUPAC name of (1S)-2-(tert-butylamino)-1-[6-(trifluoromethyl)pyrazin-2-yl]ethanol (CID 155153937) is (1S)-2-(tert-butylamino)-1-[6-(trifluoromethyl)pyrazin-2-yl]ethanol.
What is the SMILES notation for (1S)-2-(tert-butylamino)-1-[6-(trifluoromethyl)pyrazin-2-yl]ethanol?
The canonical SMILES for (1S)-2-(tert-butylamino)-1-[6-(trifluoromethyl)pyrazin-2-yl]ethanol is CC(C)(C)NC[C@H](O)c1cncc(C(F)(F)F)n1.
What is the InChIKey of (1S)-2-(tert-butylamino)-1-[6-(trifluoromethyl)pyrazin-2-yl]ethanol?
The InChIKey is NKBBGMQYFQXWJE-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-10(2,3)16-5-8(18)7-4-15-6-9(17-7)11(12,13)14/h4,6,8,16,18H,5H2,1-3H3/t8-/m0/s1.
What are the key properties of (1S)-2-(tert-butylamino)-1-[6-(trifluoromethyl)pyrazin-2-yl]ethanol?
(1S)-2-(tert-butylamino)-1-[6-(trifluoromethyl)pyrazin-2-yl]ethanol has a molecular weight of 263.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(tert-butylamino)-1-[6-(trifluoromethyl)pyrazin-2-yl]ethanol is sourced from PubChem (CID 155153937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).