1-[2-[5-(2,2-difluoroethoxy)pyrimidin-2-yl]-1,2,4-triazol-3-yl]ethanamine

C10H12F2N6O — CID 166568006

IUPAC1-[2-[5-(2,2-difluoroethoxy)pyrimidin-2-yl]-1,2,4-triazol-3-yl]ethanamine
SMILESCC(N)c1ncnn1-c1ncc(OCC(F)F)cn1
InChIInChI=1S/C10H12F2N6O/c1-6(13)9-16-5-17-18(9)10-14-2-7(3-15-10)19-4-8(11)12/h2-3,5-6,8H,4,13H2,1H3
InChIKeyGCOVIZUDITZBKW-UHFFFAOYSA-N
MW270.24 g/mol
LogP0.72
Rot. Bonds5

About 1-[2-[5-(2,2-difluoroethoxy)pyrimidin-2-yl]-1,2,4-triazol-3-yl]ethanamine

1-[2-[5-(2,2-difluoroethoxy)pyrimidin-2-yl]-1,2,4-triazol-3-yl]ethanamine (PubChem CID 166568006) has the molecular formula C10H12F2N6O and a molecular weight of 270.24 g/mol. Its IUPAC name is 1-[2-[5-(2,2-difluoroethoxy)pyrimidin-2-yl]-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[5-(2,2-difluoroethoxy)pyrimidin-2-yl]-1,2,4-triazol-3-yl]ethanamine
PubChem CID166568006
Molecular FormulaC10H12F2N6O
Molecular Weight270.24 g/mol
Exact Mass270.10
IUPAC Name1-[2-[5-(2,2-difluoroethoxy)pyrimidin-2-yl]-1,2,4-triazol-3-yl]ethanamine
SMILESCC(N)c1ncnn1-c1ncc(OCC(F)F)cn1
InChIInChI=1S/C10H12F2N6O/c1-6(13)9-16-5-17-18(9)10-14-2-7(3-15-10)19-4-8(11)12/h2-3,5-6,8H,4,13H2,1H3
InChIKeyGCOVIZUDITZBKW-UHFFFAOYSA-N
XLogP0.72
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(2,2-difluoroethoxy)pyrimidin-2-yl]-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 1-[2-[5-(2,2-difluoroethoxy)pyrimidin-2-yl]-1,2,4-triazol-3-yl]ethanamine (CID 166568006) is 1-[2-[5-(2,2-difluoroethoxy)pyrimidin-2-yl]-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 1-[2-[5-(2,2-difluoroethoxy)pyrimidin-2-yl]-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 1-[2-[5-(2,2-difluoroethoxy)pyrimidin-2-yl]-1,2,4-triazol-3-yl]ethanamine is CC(N)c1ncnn1-c1ncc(OCC(F)F)cn1.
What is the InChIKey of 1-[2-[5-(2,2-difluoroethoxy)pyrimidin-2-yl]-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is GCOVIZUDITZBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N6O/c1-6(13)9-16-5-17-18(9)10-14-2-7(3-15-10)19-4-8(11)12/h2-3,5-6,8H,4,13H2,1H3.
What are the key properties of 1-[2-[5-(2,2-difluoroethoxy)pyrimidin-2-yl]-1,2,4-triazol-3-yl]ethanamine?
1-[2-[5-(2,2-difluoroethoxy)pyrimidin-2-yl]-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 270.24 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(2,2-difluoroethoxy)pyrimidin-2-yl]-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 166568006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).