N-ethyl-1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine

C13H20N4O — CID 104997720

IUPACN-ethyl-1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCNC(Cc1ncnn1C)c1ccc(CC)o1
InChIInChI=1S/C13H20N4O/c1-4-10-6-7-12(18-10)11(14-5-2)8-13-15-9-16-17(13)3/h6-7,9,11,14H,4-5,8H2,1-3H3
InChIKeyMBPKFEFOFPALAR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.86
Rot. Bonds6

About N-ethyl-1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine

N-ethyl-1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 104997720) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-ethyl-1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID104997720
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-ethyl-1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCNC(Cc1ncnn1C)c1ccc(CC)o1
InChIInChI=1S/C13H20N4O/c1-4-10-6-7-12(18-10)11(14-5-2)8-13-15-9-16-17(13)3/h6-7,9,11,14H,4-5,8H2,1-3H3
InChIKeyMBPKFEFOFPALAR-UHFFFAOYSA-N
XLogP1.86
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997656
1-(5-ethylfuran-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999769
N-ethyl-1-(5-ethylfuran-2-yl)-2-(4-ethylphenyl)ethanamine
CID 115803280
1-(3,4-dimethylphenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997849
1-(5-ethylfuran-2-yl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105000098
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine
CID 104998451
1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997834
N-ethyl-1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanamine
CID 105029929
1-(2,4-dibromophenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 107946144
N-ethyl-1-(3-methoxythiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997997
1-(4-bromo-2,6-difluorophenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997809
N-ethyl-1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-amine
CID 105004038

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of N-ethyl-1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (CID 104997720) is N-ethyl-1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is CCNC(Cc1ncnn1C)c1ccc(CC)o1.
What is the InChIKey of N-ethyl-1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is MBPKFEFOFPALAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-10-6-7-12(18-10)11(14-5-2)8-13-15-9-16-17(13)3/h6-7,9,11,14H,4-5,8H2,1-3H3.
What are the key properties of N-ethyl-1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
N-ethyl-1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 248.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 104997720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).