3-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]-1,4-dihydro-1,2,4-triazol-5-one

C10H13F3N4O3 — CID 163309232

IUPAC3-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=C(CCc1n[nH]c(=O)[nH]1)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C10H13F3N4O3/c11-10(12,13)6-5-17(3-4-20-6)8(18)2-1-7-14-9(19)16-15-7/h6H,1-5H2,(H2,14,15,16,19)
InChIKeyZVNZOWFRKBUQEV-UHFFFAOYSA-N
MW294.23 g/mol
LogP-0.18
Rot. Bonds3

About 3-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]-1,4-dihydro-1,2,4-triazol-5-one

3-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 163309232) has the molecular formula C10H13F3N4O3 and a molecular weight of 294.23 g/mol. Its IUPAC name is 3-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID163309232
Molecular FormulaC10H13F3N4O3
Molecular Weight294.23 g/mol
Exact Mass294.09
IUPAC Name3-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=C(CCc1n[nH]c(=O)[nH]1)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C10H13F3N4O3/c11-10(12,13)6-5-17(3-4-20-6)8(18)2-1-7-14-9(19)16-15-7/h6H,1-5H2,(H2,14,15,16,19)
InChIKeyZVNZOWFRKBUQEV-UHFFFAOYSA-N
XLogP-0.18
TPSA91.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]-1,4-dihydro-1,2,4-triazol-5-one (CID 163309232) is 3-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]-1,4-dihydro-1,2,4-triazol-5-one is O=C(CCc1n[nH]c(=O)[nH]1)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of 3-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is ZVNZOWFRKBUQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O3/c11-10(12,13)6-5-17(3-4-20-6)8(18)2-1-7-14-9(19)16-15-7/h6H,1-5H2,(H2,14,15,16,19).
What are the key properties of 3-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 294.23 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 163309232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).