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

C9H12F3N3O2 — CID 113421686

IUPAC3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)butan-2-ol
SMILESCOc1nccnc1C(O)(C(C)N)C(F)(F)F
InChIInChI=1S/C9H12F3N3O2/c1-5(13)8(16,9(10,11)12)6-7(17-2)15-4-3-14-6/h3-5,16H,13H2,1-2H3
InChIKeyVJXRQQOVLAKLNH-UHFFFAOYSA-N
MW251.21 g/mol
LogP0.58
Rot. Bonds3

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

3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)butan-2-ol (PubChem CID 113421686) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)butan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)butan-2-ol
PubChem CID113421686
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)butan-2-ol
SMILESCOc1nccnc1C(O)(C(C)N)C(F)(F)F
InChIInChI=1S/C9H12F3N3O2/c1-5(13)8(16,9(10,11)12)6-7(17-2)15-4-3-14-6/h3-5,16H,13H2,1-2H3
InChIKeyVJXRQQOVLAKLNH-UHFFFAOYSA-N
XLogP0.58
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxypyrazin-2-yl)-1-phenylethanol
CID 113421421
3-amino-2-(2,5-dimethoxyphenyl)-1,1,1-trifluorobutan-2-ol
CID 63083616
3-amino-1,1,1-trifluoro-2-(3-fluoro-4-methoxyphenyl)butan-2-ol
CID 63082229
1-(5-fluoro-2-pyridinyl)-1-(3-methoxypyrazin-2-yl)ethanol
CID 104514737
3-amino-2-(3-methoxy-2-pyridinyl)butan-2-ol
CID 130574391
2-(3-methoxypyrazin-2-yl)-2-methylpropan-1-amine
CID 104516755
1-(2-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)ethanol
CID 104514450
1-(2-bromophenyl)-1-(3-methoxypyrazin-2-yl)ethanol
CID 113421425
4-fluoro-5-methoxy-4-(3-methoxypyrazin-2-yl)pentan-1-amine
CID 103392369
2-(3-methoxypyrazin-2-yl)-N-methylpropan-2-amine
CID 175976338
1-(4-fluorophenyl)-2-(3-methoxypyrazin-2-yl)propan-2-amine
CID 114833857
3-amino-2-(3,5-dimethylphenyl)-1,1,1-trifluorobutan-2-ol
CID 55181159

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)butan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)butan-2-ol (CID 113421686) is 3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)butan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)butan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)butan-2-ol is COc1nccnc1C(O)(C(C)N)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)butan-2-ol?
The InChIKey is VJXRQQOVLAKLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c1-5(13)8(16,9(10,11)12)6-7(17-2)15-4-3-14-6/h3-5,16H,13H2,1-2H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)butan-2-ol?
3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)butan-2-ol has a molecular weight of 251.21 g/mol, XLogP of 0.58, 3 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)butan-2-ol is sourced from PubChem (CID 113421686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).