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

Name: (2S)-1-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethylamino]propan-2-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₁₄F₃N₃O — CID 171475088

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 CID	171475088
Molecular Formula	C₁₀H₁₄F₃N₃O
Molecular Weight	249.24 g/mol
Exact Mass	249.11
IUPAC Name	(2S)-1-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethylamino]propan-2-ol
SMILES	CC(NC[C@H](C)O)c1cnc(C(F)(F)F)cn1
InChI	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
InChIKey	PDIRWROVQSWELC-PKPIPKONSA-N
XLogP	1.53
TPSA	58.04 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	249.24
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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).

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Sources

PubChem CID 171475088 — identifiers, structure, computed properties (public domain)

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