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

C11H16N4O — CID 104997656

IUPAC1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCc1ccc(C(N)Cc2ncnn2C)o1
InChIInChI=1S/C11H16N4O/c1-3-8-4-5-10(16-8)9(12)6-11-13-7-14-15(11)2/h4-5,7,9H,3,6,12H2,1-2H3
InChIKeyPGJUHQUBUSYAQN-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.21
Rot. Bonds4

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

1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 104997656) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID104997656
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCc1ccc(C(N)Cc2ncnn2C)o1
InChIInChI=1S/C11H16N4O/c1-3-8-4-5-10(16-8)9(12)6-11-13-7-14-15(11)2/h4-5,7,9H,3,6,12H2,1-2H3
InChIKeyPGJUHQUBUSYAQN-UHFFFAOYSA-N
XLogP1.21
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-ethylfuran-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105001972
1-(5-ethylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999574
N-ethyl-1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997720
1-(4-tert-butylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997926
1-(5-ethylfuran-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999769
1-(5-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997957
1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine
CID 104997891
3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 104997860
(1S)-1-(5-ethylfuran-2-yl)-2-fluoroethanamine;hydrochloride
CID 171213530
1-(2-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 105159432
1-(3-chlorothiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997878
ethane;5-ethyl-1-methyl-1,2,4-triazole
CID 164877506

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (CID 104997656) is 1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is CCc1ccc(C(N)Cc2ncnn2C)o1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is PGJUHQUBUSYAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-8-4-5-10(16-8)9(12)6-11-13-7-14-15(11)2/h4-5,7,9H,3,6,12H2,1-2H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 220.28 g/mol, XLogP of 1.21, 4 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-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 104997656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).