(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine

C13H18N4OS — CID 129344159

IUPAC(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine
SMILESCCn1cnnc1[C@H]1CN(Cc2cccs2)CCO1
InChIInChI=1S/C13H18N4OS/c1-2-17-10-14-15-13(17)12-9-16(5-6-18-12)8-11-4-3-7-19-11/h3-4,7,10,12H,2,5-6,8-9H2,1H3/t12-/m1/s1
InChIKeyYQLTUACFVLKTAR-GFCCVEGCSA-N
MW278.38 g/mol
LogP1.93
Rot. Bonds4

About (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine

(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine (PubChem CID 129344159) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine.

Molecular Properties

Compound Name(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine
PubChem CID129344159
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine
SMILESCCn1cnnc1[C@H]1CN(Cc2cccs2)CCO1
InChIInChI=1S/C13H18N4OS/c1-2-17-10-14-15-13(17)12-9-16(5-6-18-12)8-11-4-3-7-19-11/h3-4,7,10,12H,2,5-6,8-9H2,1H3/t12-/m1/s1
InChIKeyYQLTUACFVLKTAR-GFCCVEGCSA-N
XLogP1.93
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine 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

2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine
CID 128997862
2-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 129336394
5-[[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]thiophene-2-carbonitrile
CID 129340117
4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129001246
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine
CID 129332140
(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)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129331530
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
CID 129340570
(2R)-4-[(3-chloro-4-pyridinyl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129338594
(2R)-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-thiophen-2-ylpropan-1-one
CID 129339581
(2S)-4-[(2-butyl-1,3-thiazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129342067
(2R)-4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129332069

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine?
The IUPAC name of (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine (CID 129344159) is (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine.
What is the SMILES notation for (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine?
The canonical SMILES for (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine is CCn1cnnc1[C@H]1CN(Cc2cccs2)CCO1.
What is the InChIKey of (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine?
The InChIKey is YQLTUACFVLKTAR-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-2-17-10-14-15-13(17)12-9-16(5-6-18-12)8-11-4-3-7-19-11/h3-4,7,10,12H,2,5-6,8-9H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine?
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine has a molecular weight of 278.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine is sourced from PubChem (CID 129344159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).