(2-ethylthiomorpholin-4-yl)-(2H-triazol-4-yl)methanone

C9H14N4OS — CID 115661612

IUPAC(2-ethylthiomorpholin-4-yl)-(2H-triazol-4-yl)methanone
SMILESCCC1CN(C(=O)c2cn[nH]n2)CCS1
InChIInChI=1S/C9H14N4OS/c1-2-7-6-13(3-4-15-7)9(14)8-5-10-12-11-8/h5,7H,2-4,6H2,1H3,(H,10,11,12)
InChIKeyUUXRIASLSOXJGD-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.77
Rot. Bonds2

About (2-ethylthiomorpholin-4-yl)-(2H-triazol-4-yl)methanone

(2-ethylthiomorpholin-4-yl)-(2H-triazol-4-yl)methanone (PubChem CID 115661612) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is (2-ethylthiomorpholin-4-yl)-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name(2-ethylthiomorpholin-4-yl)-(2H-triazol-4-yl)methanone
PubChem CID115661612
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name(2-ethylthiomorpholin-4-yl)-(2H-triazol-4-yl)methanone
SMILESCCC1CN(C(=O)c2cn[nH]n2)CCS1
InChIInChI=1S/C9H14N4OS/c1-2-7-6-13(3-4-15-7)9(14)8-5-10-12-11-8/h5,7H,2-4,6H2,1H3,(H,10,11,12)
InChIKeyUUXRIASLSOXJGD-UHFFFAOYSA-N
XLogP0.77
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-ethylthiomorpholin-4-yl)-(2H-triazol-4-yl)methanone 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 (2-ethylthiomorpholin-4-yl)-(2H-triazol-4-yl)methanone?
The IUPAC name of (2-ethylthiomorpholin-4-yl)-(2H-triazol-4-yl)methanone (CID 115661612) is (2-ethylthiomorpholin-4-yl)-(2H-triazol-4-yl)methanone.
What is the SMILES notation for (2-ethylthiomorpholin-4-yl)-(2H-triazol-4-yl)methanone?
The canonical SMILES for (2-ethylthiomorpholin-4-yl)-(2H-triazol-4-yl)methanone is CCC1CN(C(=O)c2cn[nH]n2)CCS1.
What is the InChIKey of (2-ethylthiomorpholin-4-yl)-(2H-triazol-4-yl)methanone?
The InChIKey is UUXRIASLSOXJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-2-7-6-13(3-4-15-7)9(14)8-5-10-12-11-8/h5,7H,2-4,6H2,1H3,(H,10,11,12).
What are the key properties of (2-ethylthiomorpholin-4-yl)-(2H-triazol-4-yl)methanone?
(2-ethylthiomorpholin-4-yl)-(2H-triazol-4-yl)methanone has a molecular weight of 226.30 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylthiomorpholin-4-yl)-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 115661612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).