2-[4-[1-phenyl-5-(trifluoromethyl)triazole-4-carbonyl]morpholin-2-yl]acetic acid

C16H15F3N4O4 — CID 119249034

IUPAC2-[4-[1-phenyl-5-(trifluoromethyl)triazole-4-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2nnn(-c3ccccc3)c2C(F)(F)F)CCO1
InChIInChI=1S/C16H15F3N4O4/c17-16(18,19)14-13(20-21-23(14)10-4-2-1-3-5-10)15(26)22-6-7-27-11(9-22)8-12(24)25/h1-5,11H,6-9H2,(H,24,25)
InChIKeyWGORLLCLIHZJSZ-UHFFFAOYSA-N
MW384.31 g/mol
LogP1.60
Rot. Bonds4

About 2-[4-[1-phenyl-5-(trifluoromethyl)triazole-4-carbonyl]morpholin-2-yl]acetic acid

2-[4-[1-phenyl-5-(trifluoromethyl)triazole-4-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 119249034) has the molecular formula C16H15F3N4O4 and a molecular weight of 384.31 g/mol. Its IUPAC name is 2-[4-[1-phenyl-5-(trifluoromethyl)triazole-4-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-phenyl-5-(trifluoromethyl)triazole-4-carbonyl]morpholin-2-yl]acetic acid
PubChem CID119249034
Molecular FormulaC16H15F3N4O4
Molecular Weight384.31 g/mol
Exact Mass384.10
IUPAC Name2-[4-[1-phenyl-5-(trifluoromethyl)triazole-4-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2nnn(-c3ccccc3)c2C(F)(F)F)CCO1
InChIInChI=1S/C16H15F3N4O4/c17-16(18,19)14-13(20-21-23(14)10-4-2-1-3-5-10)15(26)22-6-7-27-11(9-22)8-12(24)25/h1-5,11H,6-9H2,(H,24,25)
InChIKeyWGORLLCLIHZJSZ-UHFFFAOYSA-N
XLogP1.60
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-phenyl-5-(trifluoromethyl)triazole-4-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[1-phenyl-5-(trifluoromethyl)triazole-4-carbonyl]morpholin-2-yl]acetic acid (CID 119249034) is 2-[4-[1-phenyl-5-(trifluoromethyl)triazole-4-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-phenyl-5-(trifluoromethyl)triazole-4-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[1-phenyl-5-(trifluoromethyl)triazole-4-carbonyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)c2nnn(-c3ccccc3)c2C(F)(F)F)CCO1.
What is the InChIKey of 2-[4-[1-phenyl-5-(trifluoromethyl)triazole-4-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is WGORLLCLIHZJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O4/c17-16(18,19)14-13(20-21-23(14)10-4-2-1-3-5-10)15(26)22-6-7-27-11(9-22)8-12(24)25/h1-5,11H,6-9H2,(H,24,25).
What are the key properties of 2-[4-[1-phenyl-5-(trifluoromethyl)triazole-4-carbonyl]morpholin-2-yl]acetic acid?
2-[4-[1-phenyl-5-(trifluoromethyl)triazole-4-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 384.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-phenyl-5-(trifluoromethyl)triazole-4-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119249034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).