2-morpholin-4-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]acetamide

C10H14F3N5O2 — CID 131889123

IUPAC2-morpholin-4-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]acetamide
SMILESO=C(CN1CCOCC1)NCc1nc(C(F)(F)F)n[nH]1
InChIInChI=1S/C10H14F3N5O2/c11-10(12,13)9-15-7(16-17-9)5-14-8(19)6-18-1-3-20-4-2-18/h1-6H2,(H,14,19)(H,15,16,17)
InChIKeyZKONMAZTBWGROF-UHFFFAOYSA-N
MW293.25 g/mol
LogP-0.23
Rot. Bonds4

About 2-morpholin-4-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]acetamide

2-morpholin-4-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]acetamide (PubChem CID 131889123) has the molecular formula C10H14F3N5O2 and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]acetamide
PubChem CID131889123
Molecular FormulaC10H14F3N5O2
Molecular Weight293.25 g/mol
Exact Mass293.11
IUPAC Name2-morpholin-4-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]acetamide
SMILESO=C(CN1CCOCC1)NCc1nc(C(F)(F)F)n[nH]1
InChIInChI=1S/C10H14F3N5O2/c11-10(12,13)9-15-7(16-17-9)5-14-8(19)6-18-1-3-20-4-2-18/h1-6H2,(H,14,19)(H,15,16,17)
InChIKeyZKONMAZTBWGROF-UHFFFAOYSA-N
XLogP-0.23
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]acetamide (CID 131889123) is 2-morpholin-4-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]acetamide is O=C(CN1CCOCC1)NCc1nc(C(F)(F)F)n[nH]1.
What is the InChIKey of 2-morpholin-4-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]acetamide?
The InChIKey is ZKONMAZTBWGROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O2/c11-10(12,13)9-15-7(16-17-9)5-14-8(19)6-18-1-3-20-4-2-18/h1-6H2,(H,14,19)(H,15,16,17).
What are the key properties of 2-morpholin-4-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]acetamide?
2-morpholin-4-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]acetamide has a molecular weight of 293.25 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]acetamide is sourced from PubChem (CID 131889123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).