N-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine

C11H14F3N3O — CID 141286283

IUPACN-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine
SMILESFC(F)(F)c1cnc(NCC2CCOCC2)cn1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)9-6-17-10(7-15-9)16-5-8-1-3-18-4-2-8/h6-8H,1-5H2,(H,16,17)
InChIKeyDDBMGLAZXJKASQ-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.33
Rot. Bonds3

About N-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine

N-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine (PubChem CID 141286283) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine
PubChem CID141286283
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine
SMILESFC(F)(F)c1cnc(NCC2CCOCC2)cn1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)9-6-17-10(7-15-9)16-5-8-1-3-18-4-2-8/h6-8H,1-5H2,(H,16,17)
InChIKeyDDBMGLAZXJKASQ-UHFFFAOYSA-N
XLogP2.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine (CID 141286283) is N-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine is FC(F)(F)c1cnc(NCC2CCOCC2)cn1.
What is the InChIKey of N-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is DDBMGLAZXJKASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)9-6-17-10(7-15-9)16-5-8-1-3-18-4-2-8/h6-8H,1-5H2,(H,16,17).
What are the key properties of N-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine?
N-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 261.25 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 141286283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).