(3R)-4-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carbonyl]morpholine-3-carboxylic acid

C17H17ClN4O4 — CID 125133516

IUPAC(3R)-4-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carbonyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C17H17ClN4O4/c18-11-3-1-2-4-12(11)22-15(10-5-6-10)19-14(20-22)16(23)21-7-8-26-9-13(21)17(24)25/h1-4,10,13H,5-9H2,(H,24,25)/t13-/m1/s1
InChIKeySKTLRKZCGTZZCU-CYBMUJFWSA-N
MW376.80 g/mol
LogP1.72
Rot. Bonds4

About (3R)-4-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carbonyl]morpholine-3-carboxylic acid

(3R)-4-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carbonyl]morpholine-3-carboxylic acid (PubChem CID 125133516) has the molecular formula C17H17ClN4O4 and a molecular weight of 376.80 g/mol. Its IUPAC name is (3R)-4-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carbonyl]morpholine-3-carboxylic acid
PubChem CID125133516
Molecular FormulaC17H17ClN4O4
Molecular Weight376.80 g/mol
Exact Mass376.09
IUPAC Name(3R)-4-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carbonyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C17H17ClN4O4/c18-11-3-1-2-4-12(11)22-15(10-5-6-10)19-14(20-22)16(23)21-7-8-26-9-13(21)17(24)25/h1-4,10,13H,5-9H2,(H,24,25)/t13-/m1/s1
InChIKeySKTLRKZCGTZZCU-CYBMUJFWSA-N
XLogP1.72
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-4-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carbonyl]morpholine-3-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

(3S)-4-[1-(2-chlorophenyl)-5-ethyl-1,2,4-triazole-3-carbonyl]morpholine-3-carboxylic acid
CID 125151688
(3R)-4-[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125151497
[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571479
[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119564007
[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 110911052
[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-(4-methylsulfanylpiperidin-1-yl)methanone
CID 136557467
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methanone
CID 120657951
1-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257385
(3-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methanone;hydrochloride
CID 119381785
(3S)-4-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125133089
4-(4-chloropyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 114036870
(3R)-2-[1-(2-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 124696144

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carbonyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carbonyl]morpholine-3-carboxylic acid (CID 125133516) is (3R)-4-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carbonyl]morpholine-3-carboxylic acid is O=C(O)[C@H]1COCCN1C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1.
What is the InChIKey of (3R)-4-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carbonyl]morpholine-3-carboxylic acid?
The InChIKey is SKTLRKZCGTZZCU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17ClN4O4/c18-11-3-1-2-4-12(11)22-15(10-5-6-10)19-14(20-22)16(23)21-7-8-26-9-13(21)17(24)25/h1-4,10,13H,5-9H2,(H,24,25)/t13-/m1/s1.
What are the key properties of (3R)-4-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carbonyl]morpholine-3-carboxylic acid?
(3R)-4-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carbonyl]morpholine-3-carboxylic acid has a molecular weight of 376.80 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125133516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).