3-(2-methoxyethoxy)-1-methyl-1,2,4-triazole

C6H11N3O2 — CID 67757502

IUPAC3-(2-methoxyethoxy)-1-methyl-1,2,4-triazole
SMILESCOCCOc1ncn(C)n1
InChIInChI=1S/C6H11N3O2/c1-9-5-7-6(8-9)11-4-3-10-2/h5H,3-4H2,1-2H3
InChIKeyLIOKOVLWLQKNFE-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.16
Rot. Bonds4

About 3-(2-methoxyethoxy)-1-methyl-1,2,4-triazole

3-(2-methoxyethoxy)-1-methyl-1,2,4-triazole (PubChem CID 67757502) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-1-methyl-1,2,4-triazole
PubChem CID67757502
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name3-(2-methoxyethoxy)-1-methyl-1,2,4-triazole
SMILESCOCCOc1ncn(C)n1
InChIInChI=1S/C6H11N3O2/c1-9-5-7-6(8-9)11-4-3-10-2/h5H,3-4H2,1-2H3
InChIKeyLIOKOVLWLQKNFE-UHFFFAOYSA-N
XLogP-0.16
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-3-(2,2,2-trifluoroethoxy)-1,2,4-triazole
CID 152226257
Carbonic acid, (ethyl)(1,2,4-triazol-1-ylmethyl) diester
CID 557650
5-chloro-1-(ethoxymethyl)-1H-1,2,4-triazole
CID 110205620
1-Ethoxymethyl-1,2,4-triazole
CID 3823094
1H-1,2,4-Triazole, 1-(diethoxymethyl)-
CID 18670731
1-(2-Methoxyethoxymethyl)tetrazole
CID 19986213
1-(Butoxymethyl)-1,2,4-triazole
CID 20581916
Ethyl (1-methyl-1,2,4-triazol-3-yl) carbonate
CID 21651735
Trimethyl-[2-(1,2,4-triazol-1-ylmethoxy)ethoxy]silane
CID 53903806
[Ethoxy(1,2,4-triazol-1-yl)methyl]-trimethylsilane
CID 54140106
3-Ethoxy-4-methyl-1,2,4-triazole
CID 54201153
1-(Butan-2-yloxymethyl)-1,2,4-triazole
CID 70453173

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-1-methyl-1,2,4-triazole?
The IUPAC name of 3-(2-methoxyethoxy)-1-methyl-1,2,4-triazole (CID 67757502) is 3-(2-methoxyethoxy)-1-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(2-methoxyethoxy)-1-methyl-1,2,4-triazole?
The canonical SMILES for 3-(2-methoxyethoxy)-1-methyl-1,2,4-triazole is COCCOc1ncn(C)n1.
What is the InChIKey of 3-(2-methoxyethoxy)-1-methyl-1,2,4-triazole?
The InChIKey is LIOKOVLWLQKNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-9-5-7-6(8-9)11-4-3-10-2/h5H,3-4H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)-1-methyl-1,2,4-triazole?
3-(2-methoxyethoxy)-1-methyl-1,2,4-triazole has a molecular weight of 157.17 g/mol, XLogP of -0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-1-methyl-1,2,4-triazole is sourced from PubChem (CID 67757502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).