(2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,2,4-triazol-1-yl)propanamide

C13H23N5O2 — CID 94020975

IUPAC(2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@@H]1CN(CCNC(=O)[C@@H](C)n2cncn2)C[C@@H](C)O1
InChIInChI=1S/C13H23N5O2/c1-10-6-17(7-11(2)20-10)5-4-15-13(19)12(3)18-9-14-8-16-18/h8-12H,4-7H2,1-3H3,(H,15,19)/t10-,11-,12-/m1/s1
InChIKeyXNSBTSZKOIFSGO-IJLUTSLNSA-N
MW281.36 g/mol
LogP0.06
Rot. Bonds5

About (2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,2,4-triazol-1-yl)propanamide

(2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 94020975) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID94020975
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name(2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@@H]1CN(CCNC(=O)[C@@H](C)n2cncn2)C[C@@H](C)O1
InChIInChI=1S/C13H23N5O2/c1-10-6-17(7-11(2)20-10)5-4-15-13(19)12(3)18-9-14-8-16-18/h8-12H,4-7H2,1-3H3,(H,15,19)/t10-,11-,12-/m1/s1
InChIKeyXNSBTSZKOIFSGO-IJLUTSLNSA-N
XLogP0.06
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,2,4-triazol-1-yl)propanamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 94020975) is (2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,2,4-triazol-1-yl)propanamide is C[C@@H]1CN(CCNC(=O)[C@@H](C)n2cncn2)C[C@@H](C)O1.
What is the InChIKey of (2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is XNSBTSZKOIFSGO-IJLUTSLNSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-10-6-17(7-11(2)20-10)5-4-15-13(19)12(3)18-9-14-8-16-18/h8-12H,4-7H2,1-3H3,(H,15,19)/t10-,11-,12-/m1/s1.
What are the key properties of (2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
(2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 281.36 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 94020975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).