2-ethyl-N-[4-(triazol-1-yl)butyl]butanamide

C12H22N4O — CID 75453912

IUPAC2-ethyl-N-[4-(triazol-1-yl)butyl]butanamide
SMILESCCC(CC)C(=O)NCCCCn1ccnn1
InChIInChI=1S/C12H22N4O/c1-3-11(4-2)12(17)13-7-5-6-9-16-10-8-14-15-16/h8,10-11H,3-7,9H2,1-2H3,(H,13,17)
InChIKeyJJIJLBBBKNOKPL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.61
Rot. Bonds8

About 2-ethyl-N-[4-(triazol-1-yl)butyl]butanamide

2-ethyl-N-[4-(triazol-1-yl)butyl]butanamide (PubChem CID 75453912) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-ethyl-N-[4-(triazol-1-yl)butyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[4-(triazol-1-yl)butyl]butanamide
PubChem CID75453912
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-ethyl-N-[4-(triazol-1-yl)butyl]butanamide
SMILESCCC(CC)C(=O)NCCCCn1ccnn1
InChIInChI=1S/C12H22N4O/c1-3-11(4-2)12(17)13-7-5-6-9-16-10-8-14-15-16/h8,10-11H,3-7,9H2,1-2H3,(H,13,17)
InChIKeyJJIJLBBBKNOKPL-UHFFFAOYSA-N
XLogP1.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[3-(triazol-1-yl)propyl]hexanamide
CID 107146486
2-imidazol-1-yl-N-[3-(triazol-1-yl)propyl]propanamide
CID 119069659
3-amino-2-methoxy-N-[3-(triazol-1-yl)propyl]propanamide
CID 106113671
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(triazol-1-yl)propyl]propanamide
CID 124616477
2-acetamido-3-sulfanyl-N-[3-(triazol-1-yl)propyl]propanamide
CID 107769845
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029
(2R)-2-amino-4-methylsulfanyl-N-[3-(triazol-1-yl)propyl]butanamide
CID 104909015
N-[3-(ethylamino)propyl]-3-(triazol-1-yl)propanamide
CID 43601596
(2S)-2-[3-(triazol-1-yl)propylcarbamoylamino]hexanoic acid
CID 107146507
2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 119073158
2-methyl-2-[3-(triazol-1-yl)propylcarbamoylamino]propanoic acid
CID 113413133
4-(ethylsulfonylamino)-N-[3-(triazol-1-yl)propyl]benzamide
CID 135103024

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-(triazol-1-yl)butyl]butanamide?
The IUPAC name of 2-ethyl-N-[4-(triazol-1-yl)butyl]butanamide (CID 75453912) is 2-ethyl-N-[4-(triazol-1-yl)butyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[4-(triazol-1-yl)butyl]butanamide?
The canonical SMILES for 2-ethyl-N-[4-(triazol-1-yl)butyl]butanamide is CCC(CC)C(=O)NCCCCn1ccnn1.
What is the InChIKey of 2-ethyl-N-[4-(triazol-1-yl)butyl]butanamide?
The InChIKey is JJIJLBBBKNOKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-11(4-2)12(17)13-7-5-6-9-16-10-8-14-15-16/h8,10-11H,3-7,9H2,1-2H3,(H,13,17).
What are the key properties of 2-ethyl-N-[4-(triazol-1-yl)butyl]butanamide?
2-ethyl-N-[4-(triazol-1-yl)butyl]butanamide has a molecular weight of 238.33 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-(triazol-1-yl)butyl]butanamide is sourced from PubChem (CID 75453912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).