methyl 1-ethyl-5-(2-methoxyethyl)triazole-4-carboxylate

C9H15N3O3 — CID 102646162

IUPACmethyl 1-ethyl-5-(2-methoxyethyl)triazole-4-carboxylate
SMILESCCn1nnc(C(=O)OC)c1CCOC
InChIInChI=1S/C9H15N3O3/c1-4-12-7(5-6-14-2)8(10-11-12)9(13)15-3/h4-6H2,1-3H3
InChIKeyARGOHLRJEOITCP-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.27
Rot. Bonds5

About methyl 1-ethyl-5-(2-methoxyethyl)triazole-4-carboxylate

methyl 1-ethyl-5-(2-methoxyethyl)triazole-4-carboxylate (PubChem CID 102646162) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is methyl 1-ethyl-5-(2-methoxyethyl)triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-5-(2-methoxyethyl)triazole-4-carboxylate
PubChem CID102646162
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Namemethyl 1-ethyl-5-(2-methoxyethyl)triazole-4-carboxylate
SMILESCCn1nnc(C(=O)OC)c1CCOC
InChIInChI=1S/C9H15N3O3/c1-4-12-7(5-6-14-2)8(10-11-12)9(13)15-3/h4-6H2,1-3H3
InChIKeyARGOHLRJEOITCP-UHFFFAOYSA-N
XLogP0.27
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(2-butoxyethyl)-5-(2-methoxyethyl)triazole-4-carboxylate
CID 102646087
methyl 5-(2-methoxyethyl)-1-(3,3,3-trifluoropropyl)triazole-4-carboxylate
CID 102646116
methyl 5-(2-methoxyethyl)-1-(2-propylsulfonylethyl)triazole-4-carboxylate
CID 106729295
methyl 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-(2-methoxyethyl)triazole-4-carboxylate
CID 102646255
methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]-5-(2-methoxyethyl)triazole-4-carboxylate
CID 102646081
methyl 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-(2-methoxyethyl)triazole-4-carboxylate
CID 102646292
methyl 5-(2-methoxyethyl)-1-[3-oxo-3-(propan-2-ylamino)propyl]triazole-4-carboxylate
CID 102646194
methyl 1-[3-(cyclopropylamino)-3-oxopropyl]-5-(2-methoxyethyl)triazole-4-carboxylate
CID 102646195
methyl 5-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]triazole-4-carboxylate
CID 102646144
methyl 5-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]triazole-4-carboxylate
CID 102646233
methyl 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5-(2-methoxyethyl)triazole-4-carboxylate
CID 102646262
methyl 1-(2-ethoxyethyl)-5-propyltriazole-4-carboxylate
CID 103113453

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-5-(2-methoxyethyl)triazole-4-carboxylate?
The IUPAC name of methyl 1-ethyl-5-(2-methoxyethyl)triazole-4-carboxylate (CID 102646162) is methyl 1-ethyl-5-(2-methoxyethyl)triazole-4-carboxylate.
What is the SMILES notation for methyl 1-ethyl-5-(2-methoxyethyl)triazole-4-carboxylate?
The canonical SMILES for methyl 1-ethyl-5-(2-methoxyethyl)triazole-4-carboxylate is CCn1nnc(C(=O)OC)c1CCOC.
What is the InChIKey of methyl 1-ethyl-5-(2-methoxyethyl)triazole-4-carboxylate?
The InChIKey is ARGOHLRJEOITCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-4-12-7(5-6-14-2)8(10-11-12)9(13)15-3/h4-6H2,1-3H3.
What are the key properties of methyl 1-ethyl-5-(2-methoxyethyl)triazole-4-carboxylate?
methyl 1-ethyl-5-(2-methoxyethyl)triazole-4-carboxylate has a molecular weight of 213.24 g/mol, XLogP of 0.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-5-(2-methoxyethyl)triazole-4-carboxylate is sourced from PubChem (CID 102646162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).