(2S)-1-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethylamino]propan-2-ol

C10H14F3N3O — CID 171475088

IUPAC(2S)-1-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethylamino]propan-2-ol
SMILESCC(NC[C@H](C)O)c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C10H14F3N3O/c1-6(17)3-14-7(2)8-4-16-9(5-15-8)10(11,12)13/h4-7,14,17H,3H2,1-2H3/t6-,7?/m0/s1
InChIKeyPDIRWROVQSWELC-PKPIPKONSA-N
MW249.24 g/mol
LogP1.53
Rot. Bonds4

About (2S)-1-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethylamino]propan-2-ol

(2S)-1-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethylamino]propan-2-ol (PubChem CID 171475088) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is (2S)-1-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethylamino]propan-2-ol
PubChem CID171475088
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name(2S)-1-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethylamino]propan-2-ol
SMILESCC(NC[C@H](C)O)c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C10H14F3N3O/c1-6(17)3-14-7(2)8-4-16-9(5-15-8)10(11,12)13/h4-7,14,17H,3H2,1-2H3/t6-,7?/m0/s1
InChIKeyPDIRWROVQSWELC-PKPIPKONSA-N
XLogP1.53
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-(1-pyrazin-2-ylethyl)acetamide
CID 143807600
(1S)-2-(tert-butylamino)-1-[6-(trifluoromethyl)pyrazin-2-yl]ethanol
CID 155153937
(R)-N-Methyl-1-(5-(trifluoromethyl)pyrazin-2-yl)ethan-1-amine
CID 163383034
(1R)-1-[5-(trifluoromethyl)pyrazin-2-yl]ethanamine
CID 167170818
2-methyl-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]propan-1-amine
CID 167220756
(1S)-1-[5-(trifluoromethyl)pyrazin-2-yl]ethanamine
CID 167249056
methyl (2R)-2-hydroxy-3-[[(1S)-1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]amino]propanoate
CID 167249057
(2R)-2-hydroxy-N-methyl-3-[[(1S)-1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]amino]propanamide
CID 167249058
N-methyl-1-[5-(trifluoromethyl)pyrazin-2-yl]ethanamine
CID 174220407
Methyl 2-hydroxy-3-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethylamino]propanoate
CID 175563487
methyl 2-hydroxy-3-[[(1S)-1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]amino]propanoate
CID 175563488
2-hydroxy-N-methyl-3-[[(1S)-1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]amino]propanamide
CID 175563538

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethylamino]propan-2-ol?
The IUPAC name of (2S)-1-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethylamino]propan-2-ol (CID 171475088) is (2S)-1-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethylamino]propan-2-ol is CC(NC[C@H](C)O)c1cnc(C(F)(F)F)cn1.
What is the InChIKey of (2S)-1-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethylamino]propan-2-ol?
The InChIKey is PDIRWROVQSWELC-PKPIPKONSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-6(17)3-14-7(2)8-4-16-9(5-15-8)10(11,12)13/h4-7,14,17H,3H2,1-2H3/t6-,7?/m0/s1.
What are the key properties of (2S)-1-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethylamino]propan-2-ol?
(2S)-1-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethylamino]propan-2-ol has a molecular weight of 249.24 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethylamino]propan-2-ol is sourced from PubChem (CID 171475088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).