(2S)-2-cyclopropyl-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone

C19H24N4O2 — CID 129334593

IUPAC(2S)-2-cyclopropyl-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone
SMILESCCn1cnnc1[C@@H]1CN(C(=O)[C@H](c2ccccc2)C2CC2)CCO1
InChIInChI=1S/C19H24N4O2/c1-2-22-13-20-21-18(22)16-12-23(10-11-25-16)19(24)17(15-8-9-15)14-6-4-3-5-7-14/h3-7,13,15-17H,2,8-12H2,1H3/t16-,17+/m0/s1
InChIKeyNWTVZPQQTIXRBQ-DLBZAZTESA-N
MW340.43 g/mol
LogP2.39
Rot. Bonds5

About (2S)-2-cyclopropyl-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone

(2S)-2-cyclopropyl-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone (PubChem CID 129334593) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone
PubChem CID129334593
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(2S)-2-cyclopropyl-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone
SMILESCCn1cnnc1[C@@H]1CN(C(=O)[C@H](c2ccccc2)C2CC2)CCO1
InChIInChI=1S/C19H24N4O2/c1-2-22-13-20-21-18(22)16-12-23(10-11-25-16)19(24)17(15-8-9-15)14-6-4-3-5-7-14/h3-7,13,15-17H,2,8-12H2,1H3/t16-,17+/m0/s1
InChIKeyNWTVZPQQTIXRBQ-DLBZAZTESA-N
XLogP2.39
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-cyclopropyl-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-cyclopropyl-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone
CID 129328732
(2R)-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-thiophen-2-ylpropan-1-one
CID 129339581
(2R)-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-methyl-3-thiophen-2-ylpropan-1-one
CID 129328127
(2R)-2-cyclopropyl-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-phenylethanone
CID 129327530
[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone
CID 129329703
1-benzofuran-2-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129006400
2,3-dihydro-1-benzofuran-3-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 128968193
[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129333213
(2-chloro-3-methylphenyl)-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129333852
1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-indazol-1-ylethanone
CID 129332693
[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 128997573
(5-chlorofuran-2-yl)-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129341204

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone?
The IUPAC name of (2S)-2-cyclopropyl-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone (CID 129334593) is (2S)-2-cyclopropyl-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone.
What is the SMILES notation for (2S)-2-cyclopropyl-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone?
The canonical SMILES for (2S)-2-cyclopropyl-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone is CCn1cnnc1[C@@H]1CN(C(=O)[C@H](c2ccccc2)C2CC2)CCO1.
What is the InChIKey of (2S)-2-cyclopropyl-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone?
The InChIKey is NWTVZPQQTIXRBQ-DLBZAZTESA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-22-13-20-21-18(22)16-12-23(10-11-25-16)19(24)17(15-8-9-15)14-6-4-3-5-7-14/h3-7,13,15-17H,2,8-12H2,1H3/t16-,17+/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone?
(2S)-2-cyclopropyl-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone has a molecular weight of 340.43 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone is sourced from PubChem (CID 129334593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).