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

C10H14F3N3O2 — CID 114280897

IUPAC4-[methyl-[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-2-ol
SMILESCC(O)CCN(C)c1cnc(OC(F)(F)F)cn1
InChIInChI=1S/C10H14F3N3O2/c1-7(17)3-4-16(2)8-5-15-9(6-14-8)18-10(11,12)13/h5-7,17H,3-4H2,1-2H3
InChIKeyPYHDUHQZAGCMRD-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.58
Rot. Bonds5

About 4-[methyl-[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-2-ol

4-[methyl-[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-2-ol (PubChem CID 114280897) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 4-[methyl-[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[methyl-[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-2-ol
PubChem CID114280897
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name4-[methyl-[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-2-ol
SMILESCC(O)CCN(C)c1cnc(OC(F)(F)F)cn1
InChIInChI=1S/C10H14F3N3O2/c1-7(17)3-4-16(2)8-5-15-9(6-14-8)18-10(11,12)13/h5-7,17H,3-4H2,1-2H3
InChIKeyPYHDUHQZAGCMRD-UHFFFAOYSA-N
XLogP1.58
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-2-ol?
The IUPAC name of 4-[methyl-[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-2-ol (CID 114280897) is 4-[methyl-[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-2-ol.
What is the SMILES notation for 4-[methyl-[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-2-ol?
The canonical SMILES for 4-[methyl-[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-2-ol is CC(O)CCN(C)c1cnc(OC(F)(F)F)cn1.
What is the InChIKey of 4-[methyl-[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-2-ol?
The InChIKey is PYHDUHQZAGCMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-7(17)3-4-16(2)8-5-15-9(6-14-8)18-10(11,12)13/h5-7,17H,3-4H2,1-2H3.
What are the key properties of 4-[methyl-[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-2-ol?
4-[methyl-[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-2-ol has a molecular weight of 265.23 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-2-ol is sourced from PubChem (CID 114280897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).