methyl 1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylate

C9H15N3O4 — CID 104601014

IUPACmethyl 1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylate
SMILESCOCCOCCn1cc(C(=O)OC)nn1
InChIInChI=1S/C9H15N3O4/c1-14-5-6-16-4-3-12-7-8(10-11-12)9(13)15-2/h7H,3-6H2,1-2H3
InChIKeyLCZQJCONFGCMJL-UHFFFAOYSA-N
MW229.24 g/mol
LogP-0.27
Rot. Bonds7

About methyl 1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylate

methyl 1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylate (PubChem CID 104601014) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is methyl 1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylate
PubChem CID104601014
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Namemethyl 1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylate
SMILESCOCCOCCn1cc(C(=O)OC)nn1
InChIInChI=1S/C9H15N3O4/c1-14-5-6-16-4-3-12-7-8(10-11-12)9(13)15-2/h7H,3-6H2,1-2H3
InChIKeyLCZQJCONFGCMJL-UHFFFAOYSA-N
XLogP-0.27
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 130468342
methyl 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxylate
CID 146336563
1-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]triazole-4-carboxylic acid
CID 103176665
2,2,2-trifluoro-1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]triazol-4-yl]ethanone
CID 104566929
1-[1-[2-(3-methoxypropoxy)ethyl]triazol-4-yl]ethanone
CID 164663036
1-(2-methoxyethyl)triazole-4-carbohydrazide
CID 63587191
3-(4-methoxycarbonyltriazol-1-yl)propanoic acid
CID 83831589
1-[2-[2-(2-methoxyethoxy)ethylamino]ethyl]triazole-4-carboxylic acid
CID 103243863
methyl 1-[3-(methylamino)-3-oxopropyl]triazole-4-carboxylate
CID 103107579
ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methyltriazole
CID 156729649
methyl 1-[2-(4-methylpiperazin-1-yl)ethyl]triazole-4-carboxylate
CID 103107571
methyl 1-hex-5-ynyltriazole-4-carboxylate
CID 118627262

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylate?
The IUPAC name of methyl 1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylate (CID 104601014) is methyl 1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylate?
The canonical SMILES for methyl 1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylate is COCCOCCn1cc(C(=O)OC)nn1.
What is the InChIKey of methyl 1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylate?
The InChIKey is LCZQJCONFGCMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-14-5-6-16-4-3-12-7-8(10-11-12)9(13)15-2/h7H,3-6H2,1-2H3.
What are the key properties of methyl 1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylate?
methyl 1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylate has a molecular weight of 229.24 g/mol, XLogP of -0.27, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylate is sourced from PubChem (CID 104601014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).