(6R)-6-(methoxymethyl)-2,2-dimethyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]morpholine

C12H19F3N4O2 — CID 167796797

IUPAC(6R)-6-(methoxymethyl)-2,2-dimethyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]morpholine
SMILESCOC[C@H]1CN(c2nc(C(F)(F)F)nn2C)CC(C)(C)O1
InChIInChI=1S/C12H19F3N4O2/c1-11(2)7-19(5-8(21-11)6-20-4)10-16-9(12(13,14)15)17-18(10)3/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyCKIRJYIHDDYSNU-MRVPVSSYSA-N
MW308.30 g/mol
LogP1.46
Rot. Bonds3

About (6R)-6-(methoxymethyl)-2,2-dimethyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]morpholine

(6R)-6-(methoxymethyl)-2,2-dimethyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]morpholine (PubChem CID 167796797) has the molecular formula C12H19F3N4O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is (6R)-6-(methoxymethyl)-2,2-dimethyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]morpholine.

Molecular Properties

Compound Name(6R)-6-(methoxymethyl)-2,2-dimethyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]morpholine
PubChem CID167796797
Molecular FormulaC12H19F3N4O2
Molecular Weight308.30 g/mol
Exact Mass308.15
IUPAC Name(6R)-6-(methoxymethyl)-2,2-dimethyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]morpholine
SMILESCOC[C@H]1CN(c2nc(C(F)(F)F)nn2C)CC(C)(C)O1
InChIInChI=1S/C12H19F3N4O2/c1-11(2)7-19(5-8(21-11)6-20-4)10-16-9(12(13,14)15)17-18(10)3/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyCKIRJYIHDDYSNU-MRVPVSSYSA-N
XLogP1.46
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(methoxymethyl)-2,2-dimethyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]morpholine?
The IUPAC name of (6R)-6-(methoxymethyl)-2,2-dimethyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]morpholine (CID 167796797) is (6R)-6-(methoxymethyl)-2,2-dimethyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]morpholine.
What is the SMILES notation for (6R)-6-(methoxymethyl)-2,2-dimethyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]morpholine?
The canonical SMILES for (6R)-6-(methoxymethyl)-2,2-dimethyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]morpholine is COC[C@H]1CN(c2nc(C(F)(F)F)nn2C)CC(C)(C)O1.
What is the InChIKey of (6R)-6-(methoxymethyl)-2,2-dimethyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]morpholine?
The InChIKey is CKIRJYIHDDYSNU-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H19F3N4O2/c1-11(2)7-19(5-8(21-11)6-20-4)10-16-9(12(13,14)15)17-18(10)3/h8H,5-7H2,1-4H3/t8-/m1/s1.
What are the key properties of (6R)-6-(methoxymethyl)-2,2-dimethyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]morpholine?
(6R)-6-(methoxymethyl)-2,2-dimethyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]morpholine has a molecular weight of 308.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(methoxymethyl)-2,2-dimethyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]morpholine is sourced from PubChem (CID 167796797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).