(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone

C14H24N4O2 — CID 102745147

IUPAC(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCC(C)c1nc(C(=O)N2CC(C)(C)OC(C)(C)C2)n[nH]1
InChIInChI=1S/C14H24N4O2/c1-9(2)10-15-11(17-16-10)12(19)18-7-13(3,4)20-14(5,6)8-18/h9H,7-8H2,1-6H3,(H,15,16,17)
InChIKeyAEYNRBISRYJHRW-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.96
Rot. Bonds2

About (5-propan-2-yl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone

(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (PubChem CID 102745147) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (5-propan-2-yl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
PubChem CID102745147
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCC(C)c1nc(C(=O)N2CC(C)(C)OC(C)(C)C2)n[nH]1
InChIInChI=1S/C14H24N4O2/c1-9(2)10-15-11(17-16-10)12(19)18-7-13(3,4)20-14(5,6)8-18/h9H,7-8H2,1-6H3,(H,15,16,17)
InChIKeyAEYNRBISRYJHRW-UHFFFAOYSA-N
XLogP1.96
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The IUPAC name of (5-propan-2-yl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (CID 102745147) is (5-propan-2-yl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-propan-2-yl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-propan-2-yl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is CC(C)c1nc(C(=O)N2CC(C)(C)OC(C)(C)C2)n[nH]1.
What is the InChIKey of (5-propan-2-yl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The InChIKey is AEYNRBISRYJHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9(2)10-15-11(17-16-10)12(19)18-7-13(3,4)20-14(5,6)8-18/h9H,7-8H2,1-6H3,(H,15,16,17).
What are the key properties of (5-propan-2-yl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone has a molecular weight of 280.37 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is sourced from PubChem (CID 102745147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).