4-[[1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methyl]morpholine

C12H13F3N6O — CID 56600137

IUPAC4-[[1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methyl]morpholine
SMILESFC(F)(F)c1ccc(-n2nnnc2CN2CCOCC2)nc1
InChIInChI=1S/C12H13F3N6O/c13-12(14,15)9-1-2-10(16-7-9)21-11(17-18-19-21)8-20-3-5-22-6-4-20/h1-2,7H,3-6,8H2
InChIKeyJFTTYBNTRJPRRG-UHFFFAOYSA-N
MW314.27 g/mol
LogP0.91
Rot. Bonds3

About 4-[[1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methyl]morpholine

4-[[1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methyl]morpholine (PubChem CID 56600137) has the molecular formula C12H13F3N6O and a molecular weight of 314.27 g/mol. Its IUPAC name is 4-[[1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methyl]morpholine
PubChem CID56600137
Molecular FormulaC12H13F3N6O
Molecular Weight314.27 g/mol
Exact Mass314.11
IUPAC Name4-[[1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methyl]morpholine
SMILESFC(F)(F)c1ccc(-n2nnnc2CN2CCOCC2)nc1
InChIInChI=1S/C12H13F3N6O/c13-12(14,15)9-1-2-10(16-7-9)21-11(17-18-19-21)8-20-3-5-22-6-4-20/h1-2,7H,3-6,8H2
InChIKeyJFTTYBNTRJPRRG-UHFFFAOYSA-N
XLogP0.91
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methyl]morpholine (CID 56600137) is 4-[[1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methyl]morpholine is FC(F)(F)c1ccc(-n2nnnc2CN2CCOCC2)nc1.
What is the InChIKey of 4-[[1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methyl]morpholine?
The InChIKey is JFTTYBNTRJPRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N6O/c13-12(14,15)9-1-2-10(16-7-9)21-11(17-18-19-21)8-20-3-5-22-6-4-20/h1-2,7H,3-6,8H2.
What are the key properties of 4-[[1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methyl]morpholine?
4-[[1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methyl]morpholine has a molecular weight of 314.27 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methyl]morpholine is sourced from PubChem (CID 56600137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).