methyl 5-(methoxymethyl)-1-(1-methyl-2-oxopyrrolidin-3-yl)triazole-4-carboxylate

C11H16N4O4 — CID 102643743

IUPACmethyl 5-(methoxymethyl)-1-(1-methyl-2-oxopyrrolidin-3-yl)triazole-4-carboxylate
SMILESCOCc1c(C(=O)OC)nnn1C1CCN(C)C1=O
InChIInChI=1S/C11H16N4O4/c1-14-5-4-7(10(14)16)15-8(6-18-2)9(12-13-15)11(17)19-3/h7H,4-6H2,1-3H3
InChIKeySMDSSOUXPJIWRD-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.39
Rot. Bonds4

About methyl 5-(methoxymethyl)-1-(1-methyl-2-oxopyrrolidin-3-yl)triazole-4-carboxylate

methyl 5-(methoxymethyl)-1-(1-methyl-2-oxopyrrolidin-3-yl)triazole-4-carboxylate (PubChem CID 102643743) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is methyl 5-(methoxymethyl)-1-(1-methyl-2-oxopyrrolidin-3-yl)triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(methoxymethyl)-1-(1-methyl-2-oxopyrrolidin-3-yl)triazole-4-carboxylate
PubChem CID102643743
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Namemethyl 5-(methoxymethyl)-1-(1-methyl-2-oxopyrrolidin-3-yl)triazole-4-carboxylate
SMILESCOCc1c(C(=O)OC)nnn1C1CCN(C)C1=O
InChIInChI=1S/C11H16N4O4/c1-14-5-4-7(10(14)16)15-8(6-18-2)9(12-13-15)11(17)19-3/h7H,4-6H2,1-3H3
InChIKeySMDSSOUXPJIWRD-UHFFFAOYSA-N
XLogP-0.39
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-(chloromethyl)-1-(1-methyl-2-oxopyrrolidin-3-yl)triazole-4-carboxylate
CID 103109472
5-(aminomethyl)-1-(1-methyl-2-oxopyrrolidin-3-yl)triazole-4-carboxylic acid
CID 103122148
ethyl 5-tert-butyl-1-(1-methyl-2-oxopyrrolidin-3-yl)triazole-4-carboxylate
CID 103106476
methyl 1-(2-amino-2-oxoethyl)-5-(methoxymethyl)triazole-4-carboxylate
CID 102643595
ethyl 1-(1-methyl-2-oxopyrrolidin-3-yl)-5-(trifluoromethyl)triazole-4-carboxylate
CID 103104754
methyl 5-(methoxymethyl)-1-pentan-3-yltriazole-4-carboxylate
CID 102643761
1-(3,5-dimethylcyclohexyl)-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643216
methyl 1-(3,5-dimethylcyclohexyl)-5-(2-methoxyethyl)triazole-4-carboxylate
CID 102646108
methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]-5-ethyltriazole-4-carboxylate
CID 103105641
methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]-5-(2-methoxyethyl)triazole-4-carboxylate
CID 102646081
methyl 5-(methoxymethyl)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate
CID 102643772
methyl 1-(3-ethylsulfonylpropyl)-5-(methoxymethyl)triazole-4-carboxylate
CID 102643796

Frequently Asked Questions

What is the IUPAC name of methyl 5-(methoxymethyl)-1-(1-methyl-2-oxopyrrolidin-3-yl)triazole-4-carboxylate?
The IUPAC name of methyl 5-(methoxymethyl)-1-(1-methyl-2-oxopyrrolidin-3-yl)triazole-4-carboxylate (CID 102643743) is methyl 5-(methoxymethyl)-1-(1-methyl-2-oxopyrrolidin-3-yl)triazole-4-carboxylate.
What is the SMILES notation for methyl 5-(methoxymethyl)-1-(1-methyl-2-oxopyrrolidin-3-yl)triazole-4-carboxylate?
The canonical SMILES for methyl 5-(methoxymethyl)-1-(1-methyl-2-oxopyrrolidin-3-yl)triazole-4-carboxylate is COCc1c(C(=O)OC)nnn1C1CCN(C)C1=O.
What is the InChIKey of methyl 5-(methoxymethyl)-1-(1-methyl-2-oxopyrrolidin-3-yl)triazole-4-carboxylate?
The InChIKey is SMDSSOUXPJIWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-14-5-4-7(10(14)16)15-8(6-18-2)9(12-13-15)11(17)19-3/h7H,4-6H2,1-3H3.
What are the key properties of methyl 5-(methoxymethyl)-1-(1-methyl-2-oxopyrrolidin-3-yl)triazole-4-carboxylate?
methyl 5-(methoxymethyl)-1-(1-methyl-2-oxopyrrolidin-3-yl)triazole-4-carboxylate has a molecular weight of 268.27 g/mol, XLogP of -0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(methoxymethyl)-1-(1-methyl-2-oxopyrrolidin-3-yl)triazole-4-carboxylate is sourced from PubChem (CID 102643743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).