N-ethyl-2-methoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-amine

C15H20N4O2 — CID 104674971

IUPACN-ethyl-2-methoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-amine
SMILESCCNC1CC(Oc2ncn(-c3ccccc3)n2)C1OC
InChIInChI=1S/C15H20N4O2/c1-3-16-12-9-13(14(12)20-2)21-15-17-10-19(18-15)11-7-5-4-6-8-11/h4-8,10,12-14,16H,3,9H2,1-2H3
InChIKeyRXLFFGHIDOHTDA-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.41
Rot. Bonds6

About N-ethyl-2-methoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-amine

N-ethyl-2-methoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-amine (PubChem CID 104674971) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-ethyl-2-methoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-amine
PubChem CID104674971
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-ethyl-2-methoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-amine
SMILESCCNC1CC(Oc2ncn(-c3ccccc3)n2)C1OC
InChIInChI=1S/C15H20N4O2/c1-3-16-12-9-13(14(12)20-2)21-15-17-10-19(18-15)11-7-5-4-6-8-11/h4-8,10,12-14,16H,3,9H2,1-2H3
InChIKeyRXLFFGHIDOHTDA-UHFFFAOYSA-N
XLogP1.41
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-amine?
The IUPAC name of N-ethyl-2-methoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-amine (CID 104674971) is N-ethyl-2-methoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-amine.
What is the SMILES notation for N-ethyl-2-methoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-amine?
The canonical SMILES for N-ethyl-2-methoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-amine is CCNC1CC(Oc2ncn(-c3ccccc3)n2)C1OC.
What is the InChIKey of N-ethyl-2-methoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-amine?
The InChIKey is RXLFFGHIDOHTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-16-12-9-13(14(12)20-2)21-15-17-10-19(18-15)11-7-5-4-6-8-11/h4-8,10,12-14,16H,3,9H2,1-2H3.
What are the key properties of N-ethyl-2-methoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-amine?
N-ethyl-2-methoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-amine has a molecular weight of 288.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutan-1-amine is sourced from PubChem (CID 104674971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).