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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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).