4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylic acid

C14H14N4O4 — CID 120526060

IUPAC4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2ncn(-c3ccccc3)n2)CCO1
InChIInChI=1S/C14H14N4O4/c19-13(17-6-7-22-11(8-17)14(20)21)12-15-9-18(16-12)10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,20,21)
InChIKeySRPMFHNPUCROSA-UHFFFAOYSA-N
MW302.29 g/mol
LogP0.19
Rot. Bonds3

About 4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylic acid

4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylic acid (PubChem CID 120526060) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is 4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylic acid
PubChem CID120526060
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Name4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2ncn(-c3ccccc3)n2)CCO1
InChIInChI=1S/C14H14N4O4/c19-13(17-6-7-22-11(8-17)14(20)21)12-15-9-18(16-12)10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,20,21)
InChIKeySRPMFHNPUCROSA-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

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Related Compounds

(2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 125148641
4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid
CID 119239902
(2R)-4-phenylmorpholine-2-carboxylic acid
CID 95804269
1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidine-3-sulfonamide
CID 167985818
4-[4-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxylic acid
CID 119357981
(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
4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
CID 103925683
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
(2R)-4-[5-(2-chlorophenyl)-1,3-oxazole-4-carbonyl]morpholine-2-carboxylic acid
CID 129415634
4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 120526124

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylic acid (CID 120526060) is 4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)c2ncn(-c3ccccc3)n2)CCO1.
What is the InChIKey of 4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is SRPMFHNPUCROSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c19-13(17-6-7-22-11(8-17)14(20)21)12-15-9-18(16-12)10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,20,21).
What are the key properties of 4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylic acid?
4-(1-phenyl-1,2,4-triazole-3-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-phenyl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 120526060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).