1-(5-ethylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine

C13H20N4O — CID 104999574

IUPAC1-(5-ethylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCCc1ccc(C(N)Cc2ncnn2C(C)C)o1
InChIInChI=1S/C13H20N4O/c1-4-10-5-6-12(18-10)11(14)7-13-15-8-16-17(13)9(2)3/h5-6,8-9,11H,4,7,14H2,1-3H3
InChIKeyFPPWDZCBHOJIBW-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.26
Rot. Bonds5

About 1-(5-ethylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine

1-(5-ethylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 104999574) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
PubChem CID104999574
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-(5-ethylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCCc1ccc(C(N)Cc2ncnn2C(C)C)o1
InChIInChI=1S/C13H20N4O/c1-4-10-5-6-12(18-10)11(14)7-13-15-8-16-17(13)9(2)3/h5-6,8-9,11H,4,7,14H2,1-3H3
InChIKeyFPPWDZCBHOJIBW-UHFFFAOYSA-N
XLogP2.26
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.26
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)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105001972
1-(5-ethylfuran-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999769
1-(3-methylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104804449
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 104999438
1-(4-tert-butylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999770
(1S)-1-(5-ethylfuran-2-yl)-2-fluoroethanamine;hydrochloride
CID 171213530
1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 104999487
[1-(5-chlorofuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 106694528
1-(2,3-dimethylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999756
(2S)-2-amino-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propanoic acid
CID 106702633
1-(1-methylindazol-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 103127544

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(5-ethylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (CID 104999574) is 1-(5-ethylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is CCc1ccc(C(N)Cc2ncnn2C(C)C)o1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is FPPWDZCBHOJIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-10-5-6-12(18-10)11(14)7-13-15-8-16-17(13)9(2)3/h5-6,8-9,11H,4,7,14H2,1-3H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
1-(5-ethylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 248.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 104999574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).