methyl 5-(methoxymethyl)-1-pentan-3-yltriazole-4-carboxylate

C11H19N3O3 — CID 102643761

IUPACmethyl 5-(methoxymethyl)-1-pentan-3-yltriazole-4-carboxylate
SMILESCCC(CC)n1nnc(C(=O)OC)c1COC
InChIInChI=1S/C11H19N3O3/c1-5-8(6-2)14-9(7-16-3)10(12-13-14)11(15)17-4/h8H,5-7H2,1-4H3
InChIKeyLMUUMAXYMONMBX-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.57
Rot. Bonds6

About methyl 5-(methoxymethyl)-1-pentan-3-yltriazole-4-carboxylate

methyl 5-(methoxymethyl)-1-pentan-3-yltriazole-4-carboxylate (PubChem CID 102643761) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 5-(methoxymethyl)-1-pentan-3-yltriazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(methoxymethyl)-1-pentan-3-yltriazole-4-carboxylate
PubChem CID102643761
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Namemethyl 5-(methoxymethyl)-1-pentan-3-yltriazole-4-carboxylate
SMILESCCC(CC)n1nnc(C(=O)OC)c1COC
InChIInChI=1S/C11H19N3O3/c1-5-8(6-2)14-9(7-16-3)10(12-13-14)11(15)17-4/h8H,5-7H2,1-4H3
InChIKeyLMUUMAXYMONMBX-UHFFFAOYSA-N
XLogP1.57
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-ethyl-1-propan-2-yltriazole-4-carboxylate
CID 103105848
methyl 1-(2-amino-2-oxoethyl)-5-(methoxymethyl)triazole-4-carboxylate
CID 102643595
5-(2-methoxyethyl)-1-pentan-3-yltriazole-4-carboxylic acid
CID 102646007
methyl 1-(3-ethylsulfonylpropyl)-5-(methoxymethyl)triazole-4-carboxylate
CID 102643796
methyl 1-ethyl-5-(2-methoxyethyl)triazole-4-carboxylate
CID 102646162
1-(3-hydroxybutan-2-yl)-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643273
methyl 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-(methoxymethyl)triazole-4-carboxylate
CID 102643818
methyl 5-(methoxymethyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazole-4-carboxylate
CID 102643649
methyl 1-[(1-ethylpyrazol-4-yl)methyl]-5-(methoxymethyl)triazole-4-carboxylate
CID 102643750
methyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-(methoxymethyl)triazole-4-carboxylate
CID 102643780
methyl 1-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxylate
CID 94068970
methyl 1-(2-amino-2-oxoethyl)-5-ethyltriazole-4-carboxylate
CID 103105730

Frequently Asked Questions

What is the IUPAC name of methyl 5-(methoxymethyl)-1-pentan-3-yltriazole-4-carboxylate?
The IUPAC name of methyl 5-(methoxymethyl)-1-pentan-3-yltriazole-4-carboxylate (CID 102643761) is methyl 5-(methoxymethyl)-1-pentan-3-yltriazole-4-carboxylate.
What is the SMILES notation for methyl 5-(methoxymethyl)-1-pentan-3-yltriazole-4-carboxylate?
The canonical SMILES for methyl 5-(methoxymethyl)-1-pentan-3-yltriazole-4-carboxylate is CCC(CC)n1nnc(C(=O)OC)c1COC.
What is the InChIKey of methyl 5-(methoxymethyl)-1-pentan-3-yltriazole-4-carboxylate?
The InChIKey is LMUUMAXYMONMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-5-8(6-2)14-9(7-16-3)10(12-13-14)11(15)17-4/h8H,5-7H2,1-4H3.
What are the key properties of methyl 5-(methoxymethyl)-1-pentan-3-yltriazole-4-carboxylate?
methyl 5-(methoxymethyl)-1-pentan-3-yltriazole-4-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(methoxymethyl)-1-pentan-3-yltriazole-4-carboxylate is sourced from PubChem (CID 102643761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).