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

C15H20Cl2N4O — CID 24957016

IUPAC2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1nc(C)n(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H20Cl2N4O/c1-4-20(5-2)8-9-22-15-18-11(3)21(19-15)12-6-7-13(16)14(17)10-12/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyMRBXRBPCYXJAQM-UHFFFAOYSA-N
MW343.26 g/mol
LogP3.60
Rot. Bonds7

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

2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]-N,N-diethylethanamine (PubChem CID 24957016) has the molecular formula C15H20Cl2N4O and a molecular weight of 343.26 g/mol. Its IUPAC name is 2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]-N,N-diethylethanamine
PubChem CID24957016
Molecular FormulaC15H20Cl2N4O
Molecular Weight343.26 g/mol
Exact Mass342.10
IUPAC Name2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1nc(C)n(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H20Cl2N4O/c1-4-20(5-2)8-9-22-15-18-11(3)21(19-15)12-6-7-13(16)14(17)10-12/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyMRBXRBPCYXJAQM-UHFFFAOYSA-N
XLogP3.60
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]-N,N-diethylethanamine?
The IUPAC name of 2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]-N,N-diethylethanamine (CID 24957016) is 2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]-N,N-diethylethanamine is CCN(CC)CCOc1nc(C)n(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]-N,N-diethylethanamine?
The InChIKey is MRBXRBPCYXJAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N4O/c1-4-20(5-2)8-9-22-15-18-11(3)21(19-15)12-6-7-13(16)14(17)10-12/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]-N,N-diethylethanamine?
2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]-N,N-diethylethanamine has a molecular weight of 343.26 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]-N,N-diethylethanamine is sourced from PubChem (CID 24957016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).