N-[2-[1-[3-(ethylamino)propyl]triazol-4-yl]ethyl]acetamide

C11H21N5O — CID 170201876

IUPACN-[2-[1-[3-(ethylamino)propyl]triazol-4-yl]ethyl]acetamide
SMILESCCNCCCn1cc(CCNC(C)=O)nn1
InChIInChI=1S/C11H21N5O/c1-3-12-6-4-8-16-9-11(14-15-16)5-7-13-10(2)17/h9,12H,3-8H2,1-2H3,(H,13,17)
InChIKeyYQWAXLWZEDQTDD-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.04
Rot. Bonds8

About N-[2-[1-[3-(ethylamino)propyl]triazol-4-yl]ethyl]acetamide

N-[2-[1-[3-(ethylamino)propyl]triazol-4-yl]ethyl]acetamide (PubChem CID 170201876) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[2-[1-[3-(ethylamino)propyl]triazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[3-(ethylamino)propyl]triazol-4-yl]ethyl]acetamide
PubChem CID170201876
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN-[2-[1-[3-(ethylamino)propyl]triazol-4-yl]ethyl]acetamide
SMILESCCNCCCn1cc(CCNC(C)=O)nn1
InChIInChI=1S/C11H21N5O/c1-3-12-6-4-8-16-9-11(14-15-16)5-7-13-10(2)17/h9,12H,3-8H2,1-2H3,(H,13,17)
InChIKeyYQWAXLWZEDQTDD-UHFFFAOYSA-N
XLogP-0.04
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide
CID 118975386
ethane;[1-[3-(ethylamino)propyl]triazol-4-yl]methylcarbamothioic S-acid
CID 156802536
N-[2-[1-(3-aminopropyl)triazol-4-yl]ethyl]propanamide;ethane
CID 163400080
2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine
CID 115460282
N-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethyl]acetamide
CID 156664422
2-[4-[[[1-(2-acetamidoethyl)triazol-4-yl]methyl-methylamino]methyl]triazol-1-yl]ethylcarbamic acid
CID 155400255
N-ethyl-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide
CID 62399822
ethane;N-[5-[2-(6-methylheptoxy)ethoxy]pentyl]acetamide;N-[3-[4-[2-(propan-2-ylamino)ethyl]triazol-1-yl]propyl]formamide
CID 155739514
3-[4-(methylaminomethyl)triazol-1-yl]propylurea
CID 156794759
N-ethyl-6-[1-(2-methylpropyl)triazol-4-yl]hexan-1-amine
CID 155740464
ethane;1-methyl-3-[6-(4-pentyltriazol-1-yl)hexyl]urea
CID 170621416
N-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide
CID 167455307

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(ethylamino)propyl]triazol-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-[3-(ethylamino)propyl]triazol-4-yl]ethyl]acetamide (CID 170201876) is N-[2-[1-[3-(ethylamino)propyl]triazol-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-[3-(ethylamino)propyl]triazol-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-[3-(ethylamino)propyl]triazol-4-yl]ethyl]acetamide is CCNCCCn1cc(CCNC(C)=O)nn1.
What is the InChIKey of N-[2-[1-[3-(ethylamino)propyl]triazol-4-yl]ethyl]acetamide?
The InChIKey is YQWAXLWZEDQTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-3-12-6-4-8-16-9-11(14-15-16)5-7-13-10(2)17/h9,12H,3-8H2,1-2H3,(H,13,17).
What are the key properties of N-[2-[1-[3-(ethylamino)propyl]triazol-4-yl]ethyl]acetamide?
N-[2-[1-[3-(ethylamino)propyl]triazol-4-yl]ethyl]acetamide has a molecular weight of 239.32 g/mol, XLogP of -0.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-(ethylamino)propyl]triazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 170201876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).