N-ethyl-N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]acetamide

C11H21N5O — CID 66194702

IUPACN-ethyl-N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
SMILESCCCNCc1cn(CC(=O)N(C)CC)nn1
InChIInChI=1S/C11H21N5O/c1-4-6-12-7-10-8-16(14-13-10)9-11(17)15(3)5-2/h8,12H,4-7,9H2,1-3H3
InChIKeyLFCFNCPSPFTZIR-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.26
Rot. Bonds7

About N-ethyl-N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]acetamide

N-ethyl-N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]acetamide (PubChem CID 66194702) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
PubChem CID66194702
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN-ethyl-N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
SMILESCCCNCc1cn(CC(=O)N(C)CC)nn1
InChIInChI=1S/C11H21N5O/c1-4-6-12-7-10-8-16(14-13-10)9-11(17)15(3)5-2/h8,12H,4-7,9H2,1-3H3
InChIKeyLFCFNCPSPFTZIR-UHFFFAOYSA-N
XLogP0.26
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 ≤ 50.26
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-ethyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-methylacetamide
CID 66205413
2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide
CID 62053781
N,N-dimethyl-4-[4-(propylaminomethyl)triazol-1-yl]butanamide
CID 66193355
N-(methylcarbamoyl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
CID 66192957
2-[4-(3-aminopropyl)triazol-1-yl]-N-ethyl-N-methylacetamide
CID 106221459
N-[(1-pentyltriazol-4-yl)methyl]propan-1-amine
CID 66194122
2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]-N,N-dipropylacetamide
CID 66193073
1-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]pyrrolidin-2-one
CID 66193160
3-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]-1,3-oxazolidin-2-one
CID 66193921
2-[4-(3-aminopropyl)triazol-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 106220974
N-[[1-(2-ethylsulfonylethyl)triazol-4-yl]methyl]propan-1-amine
CID 66194117
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
CID 66193137

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]acetamide?
The IUPAC name of N-ethyl-N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]acetamide (CID 66194702) is N-ethyl-N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]acetamide is CCCNCc1cn(CC(=O)N(C)CC)nn1.
What is the InChIKey of N-ethyl-N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]acetamide?
The InChIKey is LFCFNCPSPFTZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-6-12-7-10-8-16(14-13-10)9-11(17)15(3)5-2/h8,12H,4-7,9H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]acetamide?
N-ethyl-N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]acetamide has a molecular weight of 239.32 g/mol, XLogP of 0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 66194702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).