N,N-diethyl-2-[(5-methyl-1-phenyl-1,2,4-triazol-3-yl)oxy]ethanamine

C15H22N4O — CID 24951659

IUPACN,N-diethyl-2-[(5-methyl-1-phenyl-1,2,4-triazol-3-yl)oxy]ethanamine
SMILESCCN(CC)CCOc1nc(C)n(-c2ccccc2)n1
InChIInChI=1S/C15H22N4O/c1-4-18(5-2)11-12-20-15-16-13(3)19(17-15)14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3
InChIKeyBXVTXANENMYQDW-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.30
Rot. Bonds7

About N,N-diethyl-2-[(5-methyl-1-phenyl-1,2,4-triazol-3-yl)oxy]ethanamine

N,N-diethyl-2-[(5-methyl-1-phenyl-1,2,4-triazol-3-yl)oxy]ethanamine (PubChem CID 24951659) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N,N-diethyl-2-[(5-methyl-1-phenyl-1,2,4-triazol-3-yl)oxy]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[(5-methyl-1-phenyl-1,2,4-triazol-3-yl)oxy]ethanamine
PubChem CID24951659
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN,N-diethyl-2-[(5-methyl-1-phenyl-1,2,4-triazol-3-yl)oxy]ethanamine
SMILESCCN(CC)CCOc1nc(C)n(-c2ccccc2)n1
InChIInChI=1S/C15H22N4O/c1-4-18(5-2)11-12-20-15-16-13(3)19(17-15)14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3
InChIKeyBXVTXANENMYQDW-UHFFFAOYSA-N
XLogP2.30
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(5-methyl-1-phenyl-1,2,4-triazol-3-yl)oxy]ethanamine?
The IUPAC name of N,N-diethyl-2-[(5-methyl-1-phenyl-1,2,4-triazol-3-yl)oxy]ethanamine (CID 24951659) is N,N-diethyl-2-[(5-methyl-1-phenyl-1,2,4-triazol-3-yl)oxy]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[(5-methyl-1-phenyl-1,2,4-triazol-3-yl)oxy]ethanamine?
The canonical SMILES for N,N-diethyl-2-[(5-methyl-1-phenyl-1,2,4-triazol-3-yl)oxy]ethanamine is CCN(CC)CCOc1nc(C)n(-c2ccccc2)n1.
What is the InChIKey of N,N-diethyl-2-[(5-methyl-1-phenyl-1,2,4-triazol-3-yl)oxy]ethanamine?
The InChIKey is BXVTXANENMYQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-18(5-2)11-12-20-15-16-13(3)19(17-15)14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3.
What are the key properties of N,N-diethyl-2-[(5-methyl-1-phenyl-1,2,4-triazol-3-yl)oxy]ethanamine?
N,N-diethyl-2-[(5-methyl-1-phenyl-1,2,4-triazol-3-yl)oxy]ethanamine has a molecular weight of 274.37 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(5-methyl-1-phenyl-1,2,4-triazol-3-yl)oxy]ethanamine is sourced from PubChem (CID 24951659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).