N-ethyl-2-[1-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine

C16H22N4O — CID 103274312

IUPACN-ethyl-2-[1-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine
SMILESCCNCCC1(Oc2ncn(-c3ccccc3)n2)CCC1
InChIInChI=1S/C16H22N4O/c1-2-17-12-11-16(9-6-10-16)21-15-18-13-20(19-15)14-7-4-3-5-8-14/h3-5,7-8,13,17H,2,6,9-12H2,1H3
InChIKeyLBSJTDDIMGEFDA-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.57
Rot. Bonds7

About N-ethyl-2-[1-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine

N-ethyl-2-[1-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine (PubChem CID 103274312) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-ethyl-2-[1-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[1-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine
PubChem CID103274312
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-ethyl-2-[1-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine
SMILESCCNCCC1(Oc2ncn(-c3ccccc3)n2)CCC1
InChIInChI=1S/C16H22N4O/c1-2-17-12-11-16(9-6-10-16)21-15-18-13-20(19-15)14-7-4-3-5-8-14/h3-5,7-8,13,17H,2,6,9-12H2,1H3
InChIKeyLBSJTDDIMGEFDA-UHFFFAOYSA-N
XLogP2.57
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine?
The IUPAC name of N-ethyl-2-[1-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine (CID 103274312) is N-ethyl-2-[1-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[1-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine?
The canonical SMILES for N-ethyl-2-[1-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine is CCNCCC1(Oc2ncn(-c3ccccc3)n2)CCC1.
What is the InChIKey of N-ethyl-2-[1-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine?
The InChIKey is LBSJTDDIMGEFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-17-12-11-16(9-6-10-16)21-15-18-13-20(19-15)14-7-4-3-5-8-14/h3-5,7-8,13,17H,2,6,9-12H2,1H3.
What are the key properties of N-ethyl-2-[1-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine?
N-ethyl-2-[1-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine has a molecular weight of 286.38 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine is sourced from PubChem (CID 103274312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).