1-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]butan-1-amine

C13H20N4S — CID 114161205

IUPAC1-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]butan-1-amine
SMILESCCCC(N)c1cn(Cc2ccc(CC)s2)nn1
InChIInChI=1S/C13H20N4S/c1-3-5-12(14)13-9-17(16-15-13)8-11-7-6-10(4-2)18-11/h6-7,9,12H,3-5,8,14H2,1-2H3
InChIKeyFELPIACNDJLHFB-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.75
Rot. Bonds6

About 1-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]butan-1-amine

1-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]butan-1-amine (PubChem CID 114161205) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 1-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name1-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]butan-1-amine
PubChem CID114161205
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name1-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]butan-1-amine
SMILESCCCC(N)c1cn(Cc2ccc(CC)s2)nn1
InChIInChI=1S/C13H20N4S/c1-3-5-12(14)13-9-17(16-15-13)8-11-7-6-10(4-2)18-11/h6-7,9,12H,3-5,8,14H2,1-2H3
InChIKeyFELPIACNDJLHFB-UHFFFAOYSA-N
XLogP2.75
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(2-bromophenyl)methyl]triazol-4-yl]butan-1-amine
CID 114161233
1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-1-amine
CID 106229354
1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]triazol-4-yl]butan-1-amine
CID 114161127
1-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine
CID 106229058
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]butan-1-amine
CID 106229143
1-[1-[(2,5-dimethoxyphenyl)methyl]triazol-4-yl]butan-1-amine
CID 106228693
1-(1-pentyltriazol-4-yl)butan-1-amine
CID 106228799
1-[1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]butan-1-amine
CID 106228706
1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]butan-1-amine
CID 106229633
1-[1-(4-methylpentyl)triazol-4-yl]butan-1-amine
CID 106228916
1-[1-(2-phenylethyl)triazol-4-yl]butan-1-amine
CID 106228757
1-[1-[(5-bromo-2-fluorophenyl)methyl]triazol-4-yl]butan-1-amine
CID 106228788

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]butan-1-amine?
The IUPAC name of 1-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]butan-1-amine (CID 114161205) is 1-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]butan-1-amine.
What is the SMILES notation for 1-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]butan-1-amine?
The canonical SMILES for 1-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]butan-1-amine is CCCC(N)c1cn(Cc2ccc(CC)s2)nn1.
What is the InChIKey of 1-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]butan-1-amine?
The InChIKey is FELPIACNDJLHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-3-5-12(14)13-9-17(16-15-13)8-11-7-6-10(4-2)18-11/h6-7,9,12H,3-5,8,14H2,1-2H3.
What are the key properties of 1-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]butan-1-amine?
1-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]butan-1-amine has a molecular weight of 264.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]butan-1-amine is sourced from PubChem (CID 114161205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).