[4-(1H-1,2,4-triazol-5-yl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone

C14H13F3N4O2 — CID 56869281

IUPAC[4-(1H-1,2,4-triazol-5-yl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc(-c2ncn[nH]2)cc1)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C14H13F3N4O2/c15-14(16,17)11-7-21(5-6-23-11)13(22)10-3-1-9(2-4-10)12-18-8-19-20-12/h1-4,8,11H,5-7H2,(H,18,19,20)
InChIKeyUSWZOAPQXYHVDA-UHFFFAOYSA-N
MW326.28 g/mol
LogP1.88
Rot. Bonds2

About [4-(1H-1,2,4-triazol-5-yl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone

[4-(1H-1,2,4-triazol-5-yl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 56869281) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is [4-(1H-1,2,4-triazol-5-yl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-(1H-1,2,4-triazol-5-yl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID56869281
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC Name[4-(1H-1,2,4-triazol-5-yl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc(-c2ncn[nH]2)cc1)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C14H13F3N4O2/c15-14(16,17)11-7-21(5-6-23-11)13(22)10-3-1-9(2-4-10)12-18-8-19-20-12/h1-4,8,11H,5-7H2,(H,18,19,20)
InChIKeyUSWZOAPQXYHVDA-UHFFFAOYSA-N
XLogP1.88
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-1,2,4-triazol-5-yl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of [4-(1H-1,2,4-triazol-5-yl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone (CID 56869281) is [4-(1H-1,2,4-triazol-5-yl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [4-(1H-1,2,4-triazol-5-yl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for [4-(1H-1,2,4-triazol-5-yl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone is O=C(c1ccc(-c2ncn[nH]2)cc1)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of [4-(1H-1,2,4-triazol-5-yl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is USWZOAPQXYHVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c15-14(16,17)11-7-21(5-6-23-11)13(22)10-3-1-9(2-4-10)12-18-8-19-20-12/h1-4,8,11H,5-7H2,(H,18,19,20).
What are the key properties of [4-(1H-1,2,4-triazol-5-yl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
[4-(1H-1,2,4-triazol-5-yl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 326.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-1,2,4-triazol-5-yl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 56869281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).