3-methyl-2-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-1-ol

C10H14F3N3O2 — CID 114280901

IUPAC3-methyl-2-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-1-ol
SMILESCC(C)C(CO)Nc1cnc(OC(F)(F)F)cn1
InChIInChI=1S/C10H14F3N3O2/c1-6(2)7(5-17)16-8-3-15-9(4-14-8)18-10(11,12)13/h3-4,6-7,17H,5H2,1-2H3,(H,14,16)
InChIKeyFBKWHBWVFMNSKF-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.80
Rot. Bonds5

About 3-methyl-2-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-1-ol

3-methyl-2-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-1-ol (PubChem CID 114280901) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.24 g/mol. Its IUPAC name is 3-methyl-2-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-1-ol
PubChem CID114280901
Molecular FormulaC10H14F3N3O2
Molecular Weight265.24 g/mol
Exact Mass265.10
IUPAC Name3-methyl-2-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-1-ol
SMILESCC(C)C(CO)Nc1cnc(OC(F)(F)F)cn1
InChIInChI=1S/C10H14F3N3O2/c1-6(2)7(5-17)16-8-3-15-9(4-14-8)18-10(11,12)13/h3-4,6-7,17H,5H2,1-2H3,(H,14,16)
InChIKeyFBKWHBWVFMNSKF-UHFFFAOYSA-N
XLogP1.80
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-1-ol?
The IUPAC name of 3-methyl-2-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-1-ol (CID 114280901) is 3-methyl-2-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-1-ol?
The canonical SMILES for 3-methyl-2-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-1-ol is CC(C)C(CO)Nc1cnc(OC(F)(F)F)cn1.
What is the InChIKey of 3-methyl-2-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-1-ol?
The InChIKey is FBKWHBWVFMNSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-6(2)7(5-17)16-8-3-15-9(4-14-8)18-10(11,12)13/h3-4,6-7,17H,5H2,1-2H3,(H,14,16).
What are the key properties of 3-methyl-2-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-1-ol?
3-methyl-2-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-1-ol has a molecular weight of 265.24 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 114280901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).