4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid

C14H14N4O4 — CID 119239902

IUPAC4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cn(-c3ccccc3)nn2)CCO1
InChIInChI=1S/C14H14N4O4/c19-13(17-6-7-22-12(9-17)14(20)21)11-8-18(16-15-11)10-4-2-1-3-5-10/h1-5,8,12H,6-7,9H2,(H,20,21)
InChIKeyPXAWTLFHDIXWTC-UHFFFAOYSA-N
MW302.29 g/mol
LogP0.19
Rot. Bonds3

About 4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid

4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid (PubChem CID 119239902) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is 4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid
PubChem CID119239902
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Name4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cn(-c3ccccc3)nn2)CCO1
InChIInChI=1S/C14H14N4O4/c19-13(17-6-7-22-12(9-17)14(20)21)11-8-18(16-15-11)10-4-2-1-3-5-10/h1-5,8,12H,6-7,9H2,(H,20,21)
InChIKeyPXAWTLFHDIXWTC-UHFFFAOYSA-N
XLogP0.19
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 125148641
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone
CID 95714622
[2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone
CID 56891712
(3S)-1-(1-phenyltriazole-4-carbonyl)piperidine-3-carboxylic acid
CID 119113549
[1-(4-methylphenyl)triazol-4-yl]-(2-phenylmorpholin-4-yl)methanone
CID 86985839
4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylic acid
CID 120526060
(4-aminopiperidin-1-yl)-(1-phenyltriazol-4-yl)methanone
CID 66485052
[(3R)-3-phenoxypyrrolidin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 95627869
4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid
CID 119239890
(2S)-4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid
CID 129466190
(2S)-4-[1-(4-fluorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 125120561
(2S)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 125120451

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid (CID 119239902) is 4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)c2cn(-c3ccccc3)nn2)CCO1.
What is the InChIKey of 4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is PXAWTLFHDIXWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c19-13(17-6-7-22-12(9-17)14(20)21)11-8-18(16-15-11)10-4-2-1-3-5-10/h1-5,8,12H,6-7,9H2,(H,20,21).
What are the key properties of 4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid?
4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 302.29 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 119239902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).