1-(2-aminoethyl)-N-[2-(dimethylamino)ethyl]-N-ethyltriazole-4-carboxamide

C11H22N6O — CID 70731313

IUPAC1-(2-aminoethyl)-N-[2-(dimethylamino)ethyl]-N-ethyltriazole-4-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1cn(CCN)nn1
InChIInChI=1S/C11H22N6O/c1-4-16(8-7-15(2)3)11(18)10-9-17(6-5-12)14-13-10/h9H,4-8,12H2,1-3H3
InChIKeyJJARJVGVKXBUBU-UHFFFAOYSA-N
MW254.34 g/mol
LogP-0.74
Rot. Bonds7

About 1-(2-aminoethyl)-N-[2-(dimethylamino)ethyl]-N-ethyltriazole-4-carboxamide

1-(2-aminoethyl)-N-[2-(dimethylamino)ethyl]-N-ethyltriazole-4-carboxamide (PubChem CID 70731313) has the molecular formula C11H22N6O and a molecular weight of 254.34 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[2-(dimethylamino)ethyl]-N-ethyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[2-(dimethylamino)ethyl]-N-ethyltriazole-4-carboxamide
PubChem CID70731313
Molecular FormulaC11H22N6O
Molecular Weight254.34 g/mol
Exact Mass254.19
IUPAC Name1-(2-aminoethyl)-N-[2-(dimethylamino)ethyl]-N-ethyltriazole-4-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1cn(CCN)nn1
InChIInChI=1S/C11H22N6O/c1-4-16(8-7-15(2)3)11(18)10-9-17(6-5-12)14-13-10/h9H,4-8,12H2,1-3H3
InChIKeyJJARJVGVKXBUBU-UHFFFAOYSA-N
XLogP-0.74
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[2-(dimethylamino)ethyl]-N-ethyltriazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[2-(dimethylamino)ethyl]-N-ethyltriazole-4-carboxamide (CID 70731313) is 1-(2-aminoethyl)-N-[2-(dimethylamino)ethyl]-N-ethyltriazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[2-(dimethylamino)ethyl]-N-ethyltriazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[2-(dimethylamino)ethyl]-N-ethyltriazole-4-carboxamide is CCN(CCN(C)C)C(=O)c1cn(CCN)nn1.
What is the InChIKey of 1-(2-aminoethyl)-N-[2-(dimethylamino)ethyl]-N-ethyltriazole-4-carboxamide?
The InChIKey is JJARJVGVKXBUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O/c1-4-16(8-7-15(2)3)11(18)10-9-17(6-5-12)14-13-10/h9H,4-8,12H2,1-3H3.
What are the key properties of 1-(2-aminoethyl)-N-[2-(dimethylamino)ethyl]-N-ethyltriazole-4-carboxamide?
1-(2-aminoethyl)-N-[2-(dimethylamino)ethyl]-N-ethyltriazole-4-carboxamide has a molecular weight of 254.34 g/mol, XLogP of -0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[2-(dimethylamino)ethyl]-N-ethyltriazole-4-carboxamide is sourced from PubChem (CID 70731313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).