4-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]morpholine

C15H18Cl2N4O2 — CID 24951658

IUPAC4-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]morpholine
SMILESCc1nc(OCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H18Cl2N4O2/c1-11-18-15(23-9-6-20-4-7-22-8-5-20)19-21(11)12-2-3-13(16)14(17)10-12/h2-3,10H,4-9H2,1H3
InChIKeyJKCAQTJINYQGRJ-UHFFFAOYSA-N
MW357.24 g/mol
LogP2.59
Rot. Bonds5

About 4-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]morpholine

4-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]morpholine (PubChem CID 24951658) has the molecular formula C15H18Cl2N4O2 and a molecular weight of 357.24 g/mol. Its IUPAC name is 4-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]morpholine
PubChem CID24951658
Molecular FormulaC15H18Cl2N4O2
Molecular Weight357.24 g/mol
Exact Mass356.08
IUPAC Name4-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]morpholine
SMILESCc1nc(OCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H18Cl2N4O2/c1-11-18-15(23-9-6-20-4-7-22-8-5-20)19-21(11)12-2-3-13(16)14(17)10-12/h2-3,10H,4-9H2,1H3
InChIKeyJKCAQTJINYQGRJ-UHFFFAOYSA-N
XLogP2.59
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]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-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]morpholine?
The IUPAC name of 4-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]morpholine (CID 24951658) is 4-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]morpholine is Cc1nc(OCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]morpholine?
The InChIKey is JKCAQTJINYQGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O2/c1-11-18-15(23-9-6-20-4-7-22-8-5-20)19-21(11)12-2-3-13(16)14(17)10-12/h2-3,10H,4-9H2,1H3.
What are the key properties of 4-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]morpholine?
4-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]morpholine has a molecular weight of 357.24 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]morpholine is sourced from PubChem (CID 24951658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).