2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide

C13H23N5O2 — CID 56744671

IUPAC2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCc1nc(C(C)NC(=O)CN2C[C@@H](C)O[C@@H](C)C2)n[nH]1
InChIInChI=1S/C13H23N5O2/c1-8-5-18(6-9(2)20-8)7-12(19)14-10(3)13-15-11(4)16-17-13/h8-10H,5-7H2,1-4H3,(H,14,19)(H,15,16,17)/t8-,9+,10?
InChIKeyFPMMAMBVVJXLQN-ULKQDVFKSA-N
MW281.36 g/mol
LogP0.40
Rot. Bonds4

About 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 56744671) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID56744671
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCc1nc(C(C)NC(=O)CN2C[C@@H](C)O[C@@H](C)C2)n[nH]1
InChIInChI=1S/C13H23N5O2/c1-8-5-18(6-9(2)20-8)7-12(19)14-10(3)13-15-11(4)16-17-13/h8-10H,5-7H2,1-4H3,(H,14,19)(H,15,16,17)/t8-,9+,10?
InChIKeyFPMMAMBVVJXLQN-ULKQDVFKSA-N
XLogP0.40
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide (CID 56744671) is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide is Cc1nc(C(C)NC(=O)CN2C[C@@H](C)O[C@@H](C)C2)n[nH]1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is FPMMAMBVVJXLQN-ULKQDVFKSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-8-5-18(6-9(2)20-8)7-12(19)14-10(3)13-15-11(4)16-17-13/h8-10H,5-7H2,1-4H3,(H,14,19)(H,15,16,17)/t8-,9+,10?.
What are the key properties of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 281.36 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 56744671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).