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

C11H21N5O — CID 62119394

IUPACN,N-diethyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
SMILESCCN(CC)C(=O)CNC(C)c1nncn1C
InChIInChI=1S/C11H21N5O/c1-5-16(6-2)10(17)7-12-9(3)11-14-13-8-15(11)4/h8-9,12H,5-7H2,1-4H3
InChIKeyWQWFJSDRCNZHSA-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.33
Rot. Bonds6

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

N,N-diethyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide (PubChem CID 62119394) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N,N-diethyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
PubChem CID62119394
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN,N-diethyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
SMILESCCN(CC)C(=O)CNC(C)c1nncn1C
InChIInChI=1S/C11H21N5O/c1-5-16(6-2)10(17)7-12-9(3)11-14-13-8-15(11)4/h8-9,12H,5-7H2,1-4H3
InChIKeyWQWFJSDRCNZHSA-UHFFFAOYSA-N
XLogP0.33
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide (CID 62119394) is N,N-diethyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide is CCN(CC)C(=O)CNC(C)c1nncn1C.
What is the InChIKey of N,N-diethyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
The InChIKey is WQWFJSDRCNZHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-5-16(6-2)10(17)7-12-9(3)11-14-13-8-15(11)4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of N,N-diethyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
N,N-diethyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide has a molecular weight of 239.32 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide is sourced from PubChem (CID 62119394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).