1,1,1-trifluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol

C9H12F3N3O — CID 115712106

IUPAC1,1,1-trifluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol
SMILESCC(NCC(O)C(F)(F)F)c1cnccn1
InChIInChI=1S/C9H12F3N3O/c1-6(7-4-13-2-3-14-7)15-5-8(16)9(10,11)12/h2-4,6,8,15-16H,5H2,1H3
InChIKeySTMOENAYWCKLCZ-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.05
Rot. Bonds4

About 1,1,1-trifluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol

1,1,1-trifluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol (PubChem CID 115712106) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol
PubChem CID115712106
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name1,1,1-trifluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol
SMILESCC(NCC(O)C(F)(F)F)c1cnccn1
InChIInChI=1S/C9H12F3N3O/c1-6(7-4-13-2-3-14-7)15-5-8(16)9(10,11)12/h2-4,6,8,15-16H,5H2,1H3
InChIKeySTMOENAYWCKLCZ-UHFFFAOYSA-N
XLogP1.05
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-difluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol
CID 103787955
1-(1-pyrazin-2-ylethylamino)pentan-2-ol
CID 115719323
3-ethyl-1-(1-pyrazin-2-ylethylamino)pentan-2-ol
CID 103783040
4,4,4-trifluoro-N-(1-pyrazin-2-ylethyl)butan-1-amine
CID 81343203
1,1,1-trifluoro-3-(1-pyridin-4-ylethylamino)propan-2-ol
CID 63901888
1,1,1-trifluoro-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81410735
(2R)-1,1,1-trifluoro-3-[(1R)-1-pyrazin-2-ylethyl]sulfanylpropan-2-ol
CID 99832858
4,4-dimethyl-N-(1-pyrazin-2-ylethyl)pentan-1-amine
CID 115891455
1-[(1-pyrazin-2-ylethylamino)methyl]cyclobutan-1-ol
CID 115718531
(1S)-2-(methylamino)-1-pyrazin-2-ylethanol
CID 96734230
5-methyl-N-(1-pyrazin-2-ylethyl)hexan-1-amine
CID 81338055
4,4-dimethyl-1-[(1-pyrazin-2-ylethylamino)methyl]cyclohexan-1-ol
CID 65115500

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol (CID 115712106) is 1,1,1-trifluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol is CC(NCC(O)C(F)(F)F)c1cnccn1.
What is the InChIKey of 1,1,1-trifluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol?
The InChIKey is STMOENAYWCKLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-6(7-4-13-2-3-14-7)15-5-8(16)9(10,11)12/h2-4,6,8,15-16H,5H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol?
1,1,1-trifluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol has a molecular weight of 235.21 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol is sourced from PubChem (CID 115712106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).