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

C10H14F3N3O2 — CID 114280896

IUPAC1-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]pentan-3-ol
SMILESCCC(O)CCNc1cnc(OC(F)(F)F)cn1
InChIInChI=1S/C10H14F3N3O2/c1-2-7(17)3-4-14-8-5-16-9(6-15-8)18-10(11,12)13/h5-7,17H,2-4H2,1H3,(H,14,15)
InChIKeyBOMHHOZNZAHWEQ-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.95
Rot. Bonds6

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

1-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]pentan-3-ol (PubChem CID 114280896) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 1-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]pentan-3-ol.

Molecular Properties

Compound Name1-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]pentan-3-ol
PubChem CID114280896
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name1-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]pentan-3-ol
SMILESCCC(O)CCNc1cnc(OC(F)(F)F)cn1
InChIInChI=1S/C10H14F3N3O2/c1-2-7(17)3-4-14-8-5-16-9(6-15-8)18-10(11,12)13/h5-7,17H,2-4H2,1H3,(H,14,15)
InChIKeyBOMHHOZNZAHWEQ-UHFFFAOYSA-N
XLogP1.95
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]pentan-3-ol?
The IUPAC name of 1-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]pentan-3-ol (CID 114280896) is 1-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]pentan-3-ol.
What is the SMILES notation for 1-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]pentan-3-ol?
The canonical SMILES for 1-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]pentan-3-ol is CCC(O)CCNc1cnc(OC(F)(F)F)cn1.
What is the InChIKey of 1-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]pentan-3-ol?
The InChIKey is BOMHHOZNZAHWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-2-7(17)3-4-14-8-5-16-9(6-15-8)18-10(11,12)13/h5-7,17H,2-4H2,1H3,(H,14,15).
What are the key properties of 1-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]pentan-3-ol?
1-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]pentan-3-ol has a molecular weight of 265.23 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]pentan-3-ol is sourced from PubChem (CID 114280896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).