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

C14H22N4O — CID 104999769

IUPAC1-(5-ethylfuran-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCCc1ccc(C(Cc2ncnn2C(C)C)NC)o1
InChIInChI=1S/C14H22N4O/c1-5-11-6-7-13(19-11)12(15-4)8-14-16-9-17-18(14)10(2)3/h6-7,9-10,12,15H,5,8H2,1-4H3
InChIKeyBSVJPWCBLHEOBS-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.52
Rot. Bonds6

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

1-(5-ethylfuran-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 104999769) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
PubChem CID104999769
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-(5-ethylfuran-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCCc1ccc(C(Cc2ncnn2C(C)C)NC)o1
InChIInChI=1S/C14H22N4O/c1-5-11-6-7-13(19-11)12(15-4)8-14-16-9-17-18(14)10(2)3/h6-7,9-10,12,15H,5,8H2,1-4H3
InChIKeyBSVJPWCBLHEOBS-UHFFFAOYSA-N
XLogP2.52
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-ethylfuran-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine with MolForge

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Related Compounds

1-(5-ethylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999574
1-(5-ethylfuran-2-yl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105000098
[1-(5-chlorofuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 106694528
N-ethyl-1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997720
1-(5-ethylfuran-2-yl)-N,3-dimethylbutan-1-amine
CID 62346389
1-(3-chlorothiophen-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999475
N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 105160454
1-(2-fluoro-5-methylphenyl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999611
1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997656
N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanamine
CID 105160515
1-(5-ethylfuran-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105001972
[1-(2-ethylfuran-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 114104828

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(5-ethylfuran-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (CID 104999769) is 1-(5-ethylfuran-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is CCc1ccc(C(Cc2ncnn2C(C)C)NC)o1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is BSVJPWCBLHEOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-5-11-6-7-13(19-11)12(15-4)8-14-16-9-17-18(14)10(2)3/h6-7,9-10,12,15H,5,8H2,1-4H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
1-(5-ethylfuran-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 262.36 g/mol, XLogP of 2.52, 6 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)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 104999769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).