2-imidazol-1-yl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide

C13H20N6O2 — CID 119066171

IUPAC2-imidazol-1-yl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide
SMILESCOCCn1cnnc1CN(C)C(=O)C(C)n1ccnc1
InChIInChI=1S/C13H20N6O2/c1-11(18-5-4-14-9-18)13(20)17(2)8-12-16-15-10-19(12)6-7-21-3/h4-5,9-11H,6-8H2,1-3H3
InChIKeyLPRLOWULLXHUBN-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.34
Rot. Bonds7

About 2-imidazol-1-yl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide

2-imidazol-1-yl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide (PubChem CID 119066171) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide
PubChem CID119066171
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name2-imidazol-1-yl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide
SMILESCOCCn1cnnc1CN(C)C(=O)C(C)n1ccnc1
InChIInChI=1S/C13H20N6O2/c1-11(18-5-4-14-9-18)13(20)17(2)8-12-16-15-10-19(12)6-7-21-3/h4-5,9-11H,6-8H2,1-3H3
InChIKeyLPRLOWULLXHUBN-UHFFFAOYSA-N
XLogP0.34
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide
CID 135114299
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide
CID 131914732
N-[(3-chlorophenyl)methyl]-2-imidazol-1-yl-N-methylpropanamide
CID 42961250
(2S)-2-imidazol-1-yl-N-methyl-N-[(2-phenylphenyl)methyl]propanamide
CID 95284747
4-(furan-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylbenzamide
CID 131904939
(2R)-2-imidazol-1-yl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 126447800
(2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-imidazol-1-yl-N-methylpropanamide
CID 126453961
N-[2-(azepan-1-yl)ethyl]-2-imidazol-1-yl-N-methylpropanamide
CID 119072009
3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588
1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea
CID 72916109
(2R)-2-imidazol-1-yl-N-(2-methoxyethyl)-N-(3-phenylpropyl)propanamide
CID 95235203
4-(2-methoxyethyl)-3-pentan-2-yl-1,2,4-triazole
CID 115393656

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide?
The IUPAC name of 2-imidazol-1-yl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide (CID 119066171) is 2-imidazol-1-yl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide?
The canonical SMILES for 2-imidazol-1-yl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide is COCCn1cnnc1CN(C)C(=O)C(C)n1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide?
The InChIKey is LPRLOWULLXHUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-11(18-5-4-14-9-18)13(20)17(2)8-12-16-15-10-19(12)6-7-21-3/h4-5,9-11H,6-8H2,1-3H3.
What are the key properties of 2-imidazol-1-yl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide?
2-imidazol-1-yl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide has a molecular weight of 292.34 g/mol, XLogP of 0.34, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide is sourced from PubChem (CID 119066171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).