2-methoxyethyl 5-methyl-2H-triazole-4-carboxylate

C7H11N3O3 — CID 103112157

IUPAC2-methoxyethyl 5-methyl-2H-triazole-4-carboxylate
SMILESCOCCOC(=O)c1n[nH]nc1C
InChIInChI=1S/C7H11N3O3/c1-5-6(9-10-8-5)7(11)13-4-3-12-2/h3-4H2,1-2H3,(H,8,9,10)
InChIKeyBKTWAALZTBJZSE-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.08
Rot. Bonds4

About 2-methoxyethyl 5-methyl-2H-triazole-4-carboxylate

2-methoxyethyl 5-methyl-2H-triazole-4-carboxylate (PubChem CID 103112157) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-methoxyethyl 5-methyl-2H-triazole-4-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 5-methyl-2H-triazole-4-carboxylate
PubChem CID103112157
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-methoxyethyl 5-methyl-2H-triazole-4-carboxylate
SMILESCOCCOC(=O)c1n[nH]nc1C
InChIInChI=1S/C7H11N3O3/c1-5-6(9-10-8-5)7(11)13-4-3-12-2/h3-4H2,1-2H3,(H,8,9,10)
InChIKeyBKTWAALZTBJZSE-UHFFFAOYSA-N
XLogP-0.08
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.08
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

2-methylpropyl 5-methyl-2H-triazole-4-carboxylate
CID 103113233
5-ethoxycarbonyl-2H-triazole-4-carboxylic acid
CID 12998518
ethyl 5-chloro-2H-triazole-4-carboxylate
CID 6405202
ethyl 5-methyl-2H-triazole-4-carboxylate;ethyl 5-methyl-2-trityltriazole-4-carboxylate
CID 160664083
2-methoxyethyl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate
CID 65373730
2-methoxyethyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate
CID 56795161
2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate
CID 122383458
5-methyl-N-(2,4,6-trimethylphenyl)-2H-triazole-4-carboxamide
CID 110691737
5-methyl-N-prop-2-enyl-2H-triazole-4-carboxamide
CID 110691624
methyl 5-(methylcarbamoyl)-2H-triazole-4-carboxylate
CID 146299699
N-(2-methoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691757
2-methoxyethyl 5-methyl-1-(4,4,4-trifluorobutyl)triazole-4-carboxylate
CID 103112079

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 5-methyl-2H-triazole-4-carboxylate?
The IUPAC name of 2-methoxyethyl 5-methyl-2H-triazole-4-carboxylate (CID 103112157) is 2-methoxyethyl 5-methyl-2H-triazole-4-carboxylate.
What is the SMILES notation for 2-methoxyethyl 5-methyl-2H-triazole-4-carboxylate?
The canonical SMILES for 2-methoxyethyl 5-methyl-2H-triazole-4-carboxylate is COCCOC(=O)c1n[nH]nc1C.
What is the InChIKey of 2-methoxyethyl 5-methyl-2H-triazole-4-carboxylate?
The InChIKey is BKTWAALZTBJZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-5-6(9-10-8-5)7(11)13-4-3-12-2/h3-4H2,1-2H3,(H,8,9,10).
What are the key properties of 2-methoxyethyl 5-methyl-2H-triazole-4-carboxylate?
2-methoxyethyl 5-methyl-2H-triazole-4-carboxylate has a molecular weight of 185.18 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 5-methyl-2H-triazole-4-carboxylate is sourced from PubChem (CID 103112157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).