N,N-diethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide

C11H21N5O — CID 80682839

IUPACN,N-diethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
SMILESCCN(CC)C(=O)CNCCc1ncn(C)n1
InChIInChI=1S/C11H21N5O/c1-4-16(5-2)11(17)8-12-7-6-10-13-9-15(3)14-10/h9,12H,4-8H2,1-3H3
InChIKeyWAJYKOAROOZKMM-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.18
Rot. Bonds7

About N,N-diethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide

N,N-diethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide (PubChem CID 80682839) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N,N-diethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
PubChem CID80682839
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN,N-diethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
SMILESCCN(CC)C(=O)CNCCc1ncn(C)n1
InChIInChI=1S/C11H21N5O/c1-4-16(5-2)11(17)8-12-7-6-10-13-9-15(3)14-10/h9,12H,4-8H2,1-3H3
InChIKeyWAJYKOAROOZKMM-UHFFFAOYSA-N
XLogP-0.18
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 80683221
2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 80683038
3-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]propanoic acid
CID 80682574
N-cyclohexyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 80683107
N,N-diethyl-2-(2-pyridin-4-ylethylamino)acetamide
CID 60904348
N,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 28570858
2-methyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]but-2-enoic acid
CID 103257998
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-sulfanylacetamide
CID 80686448
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxobutanamide
CID 80682025
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 115688654
N,N-diethyl-2-(propylamino)acetamide
CID 15103931
ethyl 1-methyl-5-[[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrazole-4-carboxylate
CID 116631402

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide (CID 80682839) is N,N-diethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide is CCN(CC)C(=O)CNCCc1ncn(C)n1.
What is the InChIKey of N,N-diethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
The InChIKey is WAJYKOAROOZKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-16(5-2)11(17)8-12-7-6-10-13-9-15(3)14-10/h9,12H,4-8H2,1-3H3.
What are the key properties of N,N-diethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
N,N-diethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide has a molecular weight of 239.32 g/mol, XLogP of -0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide is sourced from PubChem (CID 80682839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).