3-ethoxy-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine

C11H20N4O — CID 103920990

IUPAC3-ethoxy-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2nncn2CC)C1
InChIInChI=1S/C11H20N4O/c1-3-15-8-13-14-11(15)7-12-9-5-10(6-9)16-4-2/h8-10,12H,3-7H2,1-2H3
InChIKeyRUTFDMDEDXLPJK-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.96
Rot. Bonds6

About 3-ethoxy-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine

3-ethoxy-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine (PubChem CID 103920990) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-ethoxy-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
PubChem CID103920990
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-ethoxy-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2nncn2CC)C1
InChIInChI=1S/C11H20N4O/c1-3-15-8-13-14-11(15)7-12-9-5-10(6-9)16-4-2/h8-10,12H,3-7H2,1-2H3
InChIKeyRUTFDMDEDXLPJK-UHFFFAOYSA-N
XLogP0.96
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S,4R)-4-Methoxypyrrolidin-2-yl]-4-methyl-4H-1,2,4-triazole
CID 94552503
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 55037738
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 62119200
N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine
CID 65650398
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine
CID 81672961
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106302883
4,4,4-trifluoro-N-{[4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]methyl}butan-2-amine
CID 124210084
(2R)-4,4,4-trifluoro-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]butan-2-amine
CID 125520237
(2S)-4,4,4-trifluoro-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]butan-2-amine
CID 125520238
N-[3-(2,2-difluoroethoxy)propyl]-2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 132314259
1-[4-(3-Methoxypropyl)-1,2,4-triazol-3-yl]ethanamine
CID 45791118
(1R)-1-(4-ethyl-5-propan-2-yloxy-1,2,4-triazol-3-yl)ethanamine
CID 57699072

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine (CID 103920990) is 3-ethoxy-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine is CCOC1CC(NCc2nncn2CC)C1.
What is the InChIKey of 3-ethoxy-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is RUTFDMDEDXLPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-15-8-13-14-11(15)7-12-9-5-10(6-9)16-4-2/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 3-ethoxy-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
3-ethoxy-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 224.31 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 103920990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).