(3R)-3-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]oxolan-2-one

C12H18N4O3 — CID 96996966

IUPAC(3R)-3-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]oxolan-2-one
SMILESCCc1nc([C@@H]2CN([C@@H]3CCOC3=O)CCO2)n[nH]1
InChIInChI=1S/C12H18N4O3/c1-2-10-13-11(15-14-10)9-7-16(4-6-18-9)8-3-5-19-12(8)17/h8-9H,2-7H2,1H3,(H,13,14,15)/t8-,9+/m1/s1
InChIKeyTTWGZMHKVSUPBG-BDAKNGLRSA-N
MW266.30 g/mol
LogP0.06
Rot. Bonds3

About (3R)-3-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]oxolan-2-one

(3R)-3-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]oxolan-2-one (PubChem CID 96996966) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3R)-3-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]oxolan-2-one
PubChem CID96996966
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name(3R)-3-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]oxolan-2-one
SMILESCCc1nc([C@@H]2CN([C@@H]3CCOC3=O)CCO2)n[nH]1
InChIInChI=1S/C12H18N4O3/c1-2-10-13-11(15-14-10)9-7-16(4-6-18-9)8-3-5-19-12(8)17/h8-9H,2-7H2,1H3,(H,13,14,15)/t8-,9+/m1/s1
InChIKeyTTWGZMHKVSUPBG-BDAKNGLRSA-N
XLogP0.06
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-3-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]oxolan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]oxolan-2-one?
The IUPAC name of (3R)-3-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]oxolan-2-one (CID 96996966) is (3R)-3-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]oxolan-2-one.
What is the SMILES notation for (3R)-3-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]oxolan-2-one?
The canonical SMILES for (3R)-3-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]oxolan-2-one is CCc1nc([C@@H]2CN([C@@H]3CCOC3=O)CCO2)n[nH]1.
What is the InChIKey of (3R)-3-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]oxolan-2-one?
The InChIKey is TTWGZMHKVSUPBG-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-10-13-11(15-14-10)9-7-16(4-6-18-9)8-3-5-19-12(8)17/h8-9H,2-7H2,1H3,(H,13,14,15)/t8-,9+/m1/s1.
What are the key properties of (3R)-3-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]oxolan-2-one?
(3R)-3-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]oxolan-2-one has a molecular weight of 266.30 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]oxolan-2-one is sourced from PubChem (CID 96996966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).