methyl 5-(2-aminoethyl)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]triazole-4-carboxylate

C11H19N5O3 — CID 103118086

IUPACmethyl 5-(2-aminoethyl)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]triazole-4-carboxylate
SMILESCCN(C)C(=O)Cn1nnc(C(=O)OC)c1CCN
InChIInChI=1S/C11H19N5O3/c1-4-15(2)9(17)7-16-8(5-6-12)10(13-14-16)11(18)19-3/h4-7,12H2,1-3H3
InChIKeySEDCQVNKESVGPI-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.96
Rot. Bonds6

About methyl 5-(2-aminoethyl)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]triazole-4-carboxylate

methyl 5-(2-aminoethyl)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]triazole-4-carboxylate (PubChem CID 103118086) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 5-(2-aminoethyl)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-aminoethyl)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]triazole-4-carboxylate
PubChem CID103118086
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Namemethyl 5-(2-aminoethyl)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]triazole-4-carboxylate
SMILESCCN(C)C(=O)Cn1nnc(C(=O)OC)c1CCN
InChIInChI=1S/C11H19N5O3/c1-4-15(2)9(17)7-16-8(5-6-12)10(13-14-16)11(18)19-3/h4-7,12H2,1-3H3
InChIKeySEDCQVNKESVGPI-UHFFFAOYSA-N
XLogP-0.96
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-aminoethyl)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]triazole-4-carboxylate?
The IUPAC name of methyl 5-(2-aminoethyl)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]triazole-4-carboxylate (CID 103118086) is methyl 5-(2-aminoethyl)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]triazole-4-carboxylate.
What is the SMILES notation for methyl 5-(2-aminoethyl)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]triazole-4-carboxylate?
The canonical SMILES for methyl 5-(2-aminoethyl)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]triazole-4-carboxylate is CCN(C)C(=O)Cn1nnc(C(=O)OC)c1CCN.
What is the InChIKey of methyl 5-(2-aminoethyl)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]triazole-4-carboxylate?
The InChIKey is SEDCQVNKESVGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-4-15(2)9(17)7-16-8(5-6-12)10(13-14-16)11(18)19-3/h4-7,12H2,1-3H3.
What are the key properties of methyl 5-(2-aminoethyl)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]triazole-4-carboxylate?
methyl 5-(2-aminoethyl)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]triazole-4-carboxylate has a molecular weight of 269.30 g/mol, XLogP of -0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-aminoethyl)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]triazole-4-carboxylate is sourced from PubChem (CID 103118086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).