3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)pentan-2-ol

C10H14F3N3O2 — CID 104516351

IUPAC3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)pentan-2-ol
SMILESCCC(N)C(O)(c1nccnc1OC)C(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-3-6(14)9(17,10(11,12)13)7-8(18-2)16-5-4-15-7/h4-6,17H,3,14H2,1-2H3
InChIKeyNQKBOSLIXVPCRH-UHFFFAOYSA-N
MW265.24 g/mol
LogP0.97
Rot. Bonds4

About 3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)pentan-2-ol

3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)pentan-2-ol (PubChem CID 104516351) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.24 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)pentan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)pentan-2-ol
PubChem CID104516351
Molecular FormulaC10H14F3N3O2
Molecular Weight265.24 g/mol
Exact Mass265.10
IUPAC Name3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)pentan-2-ol
SMILESCCC(N)C(O)(c1nccnc1OC)C(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-3-6(14)9(17,10(11,12)13)7-8(18-2)16-5-4-15-7/h4-6,17H,3,14H2,1-2H3
InChIKeyNQKBOSLIXVPCRH-UHFFFAOYSA-N
XLogP0.97
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-Hydroxy-2-methylpropyl)-3-methoxypyrazine
CID 587218
2-(1-Hydroxy-1-methylpropyl)-3-methoxypyrazine
CID 101731875
[6-(4,4-Difluoropiperidin-3-yl)-3-methoxypyrazin-2-yl]methanol
CID 176264646
3-Amino-1,1,1-trifluoro-2-pyrazin-2-ylpentan-2-ol
CID 63970893
3,3,3-Trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine
CID 103312255
1-(3,5-Dimethoxypyrazin-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312622
3,3,3-Trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-ol
CID 103312623
1-(3,5-Dimethoxypyrazin-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 104368409
1-(3,5-Dimethoxypyrazin-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 104368410
1-(3,5-Dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-ol
CID 104368760
1-(3,5-Dimethoxypyrazin-2-yl)-4,4,4-trifluorobutan-1-ol
CID 104368857
1-(3-Methoxypyrazin-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 104514610

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)pentan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)pentan-2-ol (CID 104516351) is 3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)pentan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)pentan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)pentan-2-ol is CCC(N)C(O)(c1nccnc1OC)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)pentan-2-ol?
The InChIKey is NQKBOSLIXVPCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-3-6(14)9(17,10(11,12)13)7-8(18-2)16-5-4-15-7/h4-6,17H,3,14H2,1-2H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)pentan-2-ol?
3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)pentan-2-ol has a molecular weight of 265.24 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)pentan-2-ol is sourced from PubChem (CID 104516351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).