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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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).