N-(2-methoxyethyl)-2-[4-(methylaminomethyl)triazol-1-yl]propanamide

C10H19N5O2 — CID 66192312

IUPACN-(2-methoxyethyl)-2-[4-(methylaminomethyl)triazol-1-yl]propanamide
SMILESCNCc1cn(C(C)C(=O)NCCOC)nn1
InChIInChI=1S/C10H19N5O2/c1-8(10(16)12-4-5-17-3)15-7-9(6-11-2)13-14-15/h7-8,11H,4-6H2,1-3H3,(H,12,16)
InChIKeyWETKHNVDUOXUJB-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.68
Rot. Bonds7

About N-(2-methoxyethyl)-2-[4-(methylaminomethyl)triazol-1-yl]propanamide

N-(2-methoxyethyl)-2-[4-(methylaminomethyl)triazol-1-yl]propanamide (PubChem CID 66192312) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-(methylaminomethyl)triazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-(methylaminomethyl)triazol-1-yl]propanamide
PubChem CID66192312
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC NameN-(2-methoxyethyl)-2-[4-(methylaminomethyl)triazol-1-yl]propanamide
SMILESCNCc1cn(C(C)C(=O)NCCOC)nn1
InChIInChI=1S/C10H19N5O2/c1-8(10(16)12-4-5-17-3)15-7-9(6-11-2)13-14-15/h7-8,11H,4-6H2,1-3H3,(H,12,16)
InChIKeyWETKHNVDUOXUJB-UHFFFAOYSA-N
XLogP-0.68
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-2-[4-(methylaminomethyl)triazol-1-yl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide
CID 62399584
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-methoxypropyl)propanamide
CID 66194678
2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-propan-2-ylpropanamide
CID 66205010
N-(3-methoxypropyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide
CID 66194740
2-[4-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 66214641
2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide
CID 114419809
2-[4-(ethylaminomethyl)triazol-1-yl]-N-methylpropanamide
CID 66194489
N-(3-methylbutyl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
CID 66194414
2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide
CID 62400159
N-methyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
CID 66194200
2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-methylpropanamide
CID 66192085
2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N-propylpropanamide
CID 114778173

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-(methylaminomethyl)triazol-1-yl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-(methylaminomethyl)triazol-1-yl]propanamide (CID 66192312) is N-(2-methoxyethyl)-2-[4-(methylaminomethyl)triazol-1-yl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-(methylaminomethyl)triazol-1-yl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-(methylaminomethyl)triazol-1-yl]propanamide is CNCc1cn(C(C)C(=O)NCCOC)nn1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-(methylaminomethyl)triazol-1-yl]propanamide?
The InChIKey is WETKHNVDUOXUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-8(10(16)12-4-5-17-3)15-7-9(6-11-2)13-14-15/h7-8,11H,4-6H2,1-3H3,(H,12,16).
What are the key properties of N-(2-methoxyethyl)-2-[4-(methylaminomethyl)triazol-1-yl]propanamide?
N-(2-methoxyethyl)-2-[4-(methylaminomethyl)triazol-1-yl]propanamide has a molecular weight of 241.29 g/mol, XLogP of -0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-(methylaminomethyl)triazol-1-yl]propanamide is sourced from PubChem (CID 66192312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).