1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-indazol-1-ylethanone

C17H20N6O2 — CID 129332693

IUPAC1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-indazol-1-ylethanone
SMILESCCn1cnnc1[C@@H]1CN(C(=O)Cn2ncc3ccccc32)CCO1
InChIInChI=1S/C17H20N6O2/c1-2-21-12-18-20-17(21)15-10-22(7-8-25-15)16(24)11-23-14-6-4-3-5-13(14)9-19-23/h3-6,9,12,15H,2,7-8,10-11H2,1H3/t15-/m0/s1
InChIKeyLEJGTEHLONGVDU-HNNXBMFYSA-N
MW340.39 g/mol
LogP1.25
Rot. Bonds4

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

1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-indazol-1-ylethanone (PubChem CID 129332693) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-indazol-1-ylethanone.

Molecular Properties

Compound Name1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-indazol-1-ylethanone
PubChem CID129332693
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-indazol-1-ylethanone
SMILESCCn1cnnc1[C@@H]1CN(C(=O)Cn2ncc3ccccc32)CCO1
InChIInChI=1S/C17H20N6O2/c1-2-21-12-18-20-17(21)15-10-22(7-8-25-15)16(24)11-23-14-6-4-3-5-13(14)9-19-23/h3-6,9,12,15H,2,7-8,10-11H2,1H3/t15-/m0/s1
InChIKeyLEJGTEHLONGVDU-HNNXBMFYSA-N
XLogP1.25
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-indazol-1-ylethanone 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)-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
1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(4-fluorophenyl)propan-1-one
CID 129330853
(2S)-2-cyclopropyl-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone
CID 129334593
1-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-methylphenoxy)ethanone
CID 129006398
(5-chlorofuran-2-yl)-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129341204
(2R)-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-thiophen-2-ylpropan-1-one
CID 129339581
[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 129338842
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide
CID 129333058
(2-chloro-3-methylphenyl)-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129333852

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-indazol-1-ylethanone?
The IUPAC name of 1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-indazol-1-ylethanone (CID 129332693) is 1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-indazol-1-ylethanone.
What is the SMILES notation for 1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-indazol-1-ylethanone?
The canonical SMILES for 1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-indazol-1-ylethanone is CCn1cnnc1[C@@H]1CN(C(=O)Cn2ncc3ccccc32)CCO1.
What is the InChIKey of 1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-indazol-1-ylethanone?
The InChIKey is LEJGTEHLONGVDU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-2-21-12-18-20-17(21)15-10-22(7-8-25-15)16(24)11-23-14-6-4-3-5-13(14)9-19-23/h3-6,9,12,15H,2,7-8,10-11H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-indazol-1-ylethanone?
1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-indazol-1-ylethanone has a molecular weight of 340.39 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-indazol-1-ylethanone is sourced from PubChem (CID 129332693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).