2-morpholin-4-yl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide

C13H23N5O2 — CID 164638752

IUPAC2-morpholin-4-yl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCC(C)n1cnnc1[C@H](C)NC(=O)CN1CCOCC1
InChIInChI=1S/C13H23N5O2/c1-10(2)18-9-14-16-13(18)11(3)15-12(19)8-17-4-6-20-7-5-17/h9-11H,4-8H2,1-3H3,(H,15,19)/t11-/m0/s1
InChIKeyPRVKESXVHIPOJP-NSHDSACASA-N
MW281.36 g/mol
LogP0.37
Rot. Bonds5

About 2-morpholin-4-yl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide

2-morpholin-4-yl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 164638752) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID164638752
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-morpholin-4-yl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCC(C)n1cnnc1[C@H](C)NC(=O)CN1CCOCC1
InChIInChI=1S/C13H23N5O2/c1-10(2)18-9-14-16-13(18)11(3)15-12(19)8-17-4-6-20-7-5-17/h9-11H,4-8H2,1-3H3,(H,15,19)/t11-/m0/s1
InChIKeyPRVKESXVHIPOJP-NSHDSACASA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 164638752) is 2-morpholin-4-yl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide is CC(C)n1cnnc1[C@H](C)NC(=O)CN1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is PRVKESXVHIPOJP-NSHDSACASA-N. The full InChI is InChI=1S/C13H23N5O2/c1-10(2)18-9-14-16-13(18)11(3)15-12(19)8-17-4-6-20-7-5-17/h9-11H,4-8H2,1-3H3,(H,15,19)/t11-/m0/s1.
What are the key properties of 2-morpholin-4-yl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-morpholin-4-yl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 281.36 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 164638752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).