4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine

C10H18N4OS — CID 651785

IUPAC4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine
SMILESCc1nnc(SCCN2CCOCC2)n1C
InChIInChI=1S/C10H18N4OS/c1-9-11-12-10(13(9)2)16-8-5-14-3-6-15-7-4-14/h3-8H2,1-2H3
InChIKeyFYWLHZZVMBLTPN-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.55
Rot. Bonds4

About 4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine

4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine (PubChem CID 651785) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine
PubChem CID651785
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine
SMILESCc1nnc(SCCN2CCOCC2)n1C
InChIInChI=1S/C10H18N4OS/c1-9-11-12-10(13(9)2)16-8-5-14-3-6-15-7-4-14/h3-8H2,1-2H3
InChIKeyFYWLHZZVMBLTPN-UHFFFAOYSA-N
XLogP0.55
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine 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 4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine?
The IUPAC name of 4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine (CID 651785) is 4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine is Cc1nnc(SCCN2CCOCC2)n1C.
What is the InChIKey of 4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine?
The InChIKey is FYWLHZZVMBLTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-9-11-12-10(13(9)2)16-8-5-14-3-6-15-7-4-14/h3-8H2,1-2H3.
What are the key properties of 4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine?
4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine has a molecular weight of 242.35 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine is sourced from PubChem (CID 651785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).