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

Name: 3-amino-1,1,1-trifluoro-2-pyrazin-2-ylpentan-2-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₁₂F₃N₃O — CID 63970893

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

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 Name	3-amino-1,1,1-trifluoro-2-pyrazin-2-ylpentan-2-ol
PubChem CID	63970893
Molecular Formula	C₉H₁₂F₃N₃O
Molecular Weight	235.21 g/mol
Exact Mass	235.09
IUPAC Name	3-amino-1,1,1-trifluoro-2-pyrazin-2-ylpentan-2-ol
SMILES	CCC(N)C(O)(c1cnccn1)C(F)(F)F
InChI	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
InChIKey	TYYIUPMSDPUKHW-UHFFFAOYSA-N
XLogP	0.96
TPSA	72.03 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	235.21
LogP ≤ 5	0.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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).

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Sources

PubChem CID 63970893 — identifiers, structure, computed properties (public domain)

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