2-[1-tert-butyl-5-[(2S)-2-morpholin-4-ylpropyl]-1,2,4-triazol-3-yl]acetamide

C15H27N5O2 — CID 164642555

IUPAC2-[1-tert-butyl-5-[(2S)-2-morpholin-4-ylpropyl]-1,2,4-triazol-3-yl]acetamide
SMILESC[C@@H](Cc1nc(CC(N)=O)nn1C(C)(C)C)N1CCOCC1
InChIInChI=1S/C15H27N5O2/c1-11(19-5-7-22-8-6-19)9-14-17-13(10-12(16)21)18-20(14)15(2,3)4/h11H,5-10H2,1-4H3,(H2,16,21)/t11-/m0/s1
InChIKeyHEYKKYOTMDLUJF-NSHDSACASA-N
MW309.41 g/mol
LogP0.32
Rot. Bonds5

About 2-[1-tert-butyl-5-[(2S)-2-morpholin-4-ylpropyl]-1,2,4-triazol-3-yl]acetamide

2-[1-tert-butyl-5-[(2S)-2-morpholin-4-ylpropyl]-1,2,4-triazol-3-yl]acetamide (PubChem CID 164642555) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[1-tert-butyl-5-[(2S)-2-morpholin-4-ylpropyl]-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-tert-butyl-5-[(2S)-2-morpholin-4-ylpropyl]-1,2,4-triazol-3-yl]acetamide
PubChem CID164642555
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name2-[1-tert-butyl-5-[(2S)-2-morpholin-4-ylpropyl]-1,2,4-triazol-3-yl]acetamide
SMILESC[C@@H](Cc1nc(CC(N)=O)nn1C(C)(C)C)N1CCOCC1
InChIInChI=1S/C15H27N5O2/c1-11(19-5-7-22-8-6-19)9-14-17-13(10-12(16)21)18-20(14)15(2,3)4/h11H,5-10H2,1-4H3,(H2,16,21)/t11-/m0/s1
InChIKeyHEYKKYOTMDLUJF-NSHDSACASA-N
XLogP0.32
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-tert-butyl-5-[(2S)-2-morpholin-4-ylpropyl]-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-tert-butyl-5-[(2S)-2-morpholin-4-ylpropyl]-1,2,4-triazol-3-yl]acetamide (CID 164642555) is 2-[1-tert-butyl-5-[(2S)-2-morpholin-4-ylpropyl]-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-tert-butyl-5-[(2S)-2-morpholin-4-ylpropyl]-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-tert-butyl-5-[(2S)-2-morpholin-4-ylpropyl]-1,2,4-triazol-3-yl]acetamide is C[C@@H](Cc1nc(CC(N)=O)nn1C(C)(C)C)N1CCOCC1.
What is the InChIKey of 2-[1-tert-butyl-5-[(2S)-2-morpholin-4-ylpropyl]-1,2,4-triazol-3-yl]acetamide?
The InChIKey is HEYKKYOTMDLUJF-NSHDSACASA-N. The full InChI is InChI=1S/C15H27N5O2/c1-11(19-5-7-22-8-6-19)9-14-17-13(10-12(16)21)18-20(14)15(2,3)4/h11H,5-10H2,1-4H3,(H2,16,21)/t11-/m0/s1.
What are the key properties of 2-[1-tert-butyl-5-[(2S)-2-morpholin-4-ylpropyl]-1,2,4-triazol-3-yl]acetamide?
2-[1-tert-butyl-5-[(2S)-2-morpholin-4-ylpropyl]-1,2,4-triazol-3-yl]acetamide has a molecular weight of 309.41 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-tert-butyl-5-[(2S)-2-morpholin-4-ylpropyl]-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 164642555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).