[(2R)-2-tert-butylmorpholin-4-yl]-(2H-triazol-4-yl)methanone

C11H18N4O2 — CID 164641192

IUPAC[(2R)-2-tert-butylmorpholin-4-yl]-(2H-triazol-4-yl)methanone
SMILESCC(C)(C)[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1
InChIInChI=1S/C11H18N4O2/c1-11(2,3)9-7-15(4-5-17-9)10(16)8-6-12-14-13-8/h6,9H,4-5,7H2,1-3H3,(H,12,13,14)/t9-/m0/s1
InChIKeyLDZCFGMSUAAWRV-VIFPVBQESA-N
MW238.29 g/mol
LogP0.69
Rot. Bonds1

About [(2R)-2-tert-butylmorpholin-4-yl]-(2H-triazol-4-yl)methanone

[(2R)-2-tert-butylmorpholin-4-yl]-(2H-triazol-4-yl)methanone (PubChem CID 164641192) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is [(2R)-2-tert-butylmorpholin-4-yl]-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-tert-butylmorpholin-4-yl]-(2H-triazol-4-yl)methanone
PubChem CID164641192
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name[(2R)-2-tert-butylmorpholin-4-yl]-(2H-triazol-4-yl)methanone
SMILESCC(C)(C)[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1
InChIInChI=1S/C11H18N4O2/c1-11(2,3)9-7-15(4-5-17-9)10(16)8-6-12-14-13-8/h6,9H,4-5,7H2,1-3H3,(H,12,13,14)/t9-/m0/s1
InChIKeyLDZCFGMSUAAWRV-VIFPVBQESA-N
XLogP0.69
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-tert-butylmorpholin-4-yl]-(2H-triazol-4-yl)methanone?
The IUPAC name of [(2R)-2-tert-butylmorpholin-4-yl]-(2H-triazol-4-yl)methanone (CID 164641192) is [(2R)-2-tert-butylmorpholin-4-yl]-(2H-triazol-4-yl)methanone.
What is the SMILES notation for [(2R)-2-tert-butylmorpholin-4-yl]-(2H-triazol-4-yl)methanone?
The canonical SMILES for [(2R)-2-tert-butylmorpholin-4-yl]-(2H-triazol-4-yl)methanone is CC(C)(C)[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1.
What is the InChIKey of [(2R)-2-tert-butylmorpholin-4-yl]-(2H-triazol-4-yl)methanone?
The InChIKey is LDZCFGMSUAAWRV-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(2,3)9-7-15(4-5-17-9)10(16)8-6-12-14-13-8/h6,9H,4-5,7H2,1-3H3,(H,12,13,14)/t9-/m0/s1.
What are the key properties of [(2R)-2-tert-butylmorpholin-4-yl]-(2H-triazol-4-yl)methanone?
[(2R)-2-tert-butylmorpholin-4-yl]-(2H-triazol-4-yl)methanone has a molecular weight of 238.29 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-tert-butylmorpholin-4-yl]-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 164641192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).