1-(4-methyl-1,2,4-triazol-3-yl)-N-(2-morpholin-4-ylethyl)ethanamine

C11H21N5O — CID 55037786

IUPAC1-(4-methyl-1,2,4-triazol-3-yl)-N-(2-morpholin-4-ylethyl)ethanamine
SMILESCC(NCCN1CCOCC1)c1nncn1C
InChIInChI=1S/C11H21N5O/c1-10(11-14-13-9-15(11)2)12-3-4-16-5-7-17-8-6-16/h9-10,12H,3-8H2,1-2H3
InChIKeyJUSJYWAIWYISEF-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.20
Rot. Bonds5

About 1-(4-methyl-1,2,4-triazol-3-yl)-N-(2-morpholin-4-ylethyl)ethanamine

1-(4-methyl-1,2,4-triazol-3-yl)-N-(2-morpholin-4-ylethyl)ethanamine (PubChem CID 55037786) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(4-methyl-1,2,4-triazol-3-yl)-N-(2-morpholin-4-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(4-methyl-1,2,4-triazol-3-yl)-N-(2-morpholin-4-ylethyl)ethanamine
PubChem CID55037786
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name1-(4-methyl-1,2,4-triazol-3-yl)-N-(2-morpholin-4-ylethyl)ethanamine
SMILESCC(NCCN1CCOCC1)c1nncn1C
InChIInChI=1S/C11H21N5O/c1-10(11-14-13-9-15(11)2)12-3-4-16-5-7-17-8-6-16/h9-10,12H,3-8H2,1-2H3
InChIKeyJUSJYWAIWYISEF-UHFFFAOYSA-N
XLogP-0.20
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)-N-(2-morpholin-4-ylethyl)ethanamine?
The IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)-N-(2-morpholin-4-ylethyl)ethanamine (CID 55037786) is 1-(4-methyl-1,2,4-triazol-3-yl)-N-(2-morpholin-4-ylethyl)ethanamine.
What is the SMILES notation for 1-(4-methyl-1,2,4-triazol-3-yl)-N-(2-morpholin-4-ylethyl)ethanamine?
The canonical SMILES for 1-(4-methyl-1,2,4-triazol-3-yl)-N-(2-morpholin-4-ylethyl)ethanamine is CC(NCCN1CCOCC1)c1nncn1C.
What is the InChIKey of 1-(4-methyl-1,2,4-triazol-3-yl)-N-(2-morpholin-4-ylethyl)ethanamine?
The InChIKey is JUSJYWAIWYISEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-10(11-14-13-9-15(11)2)12-3-4-16-5-7-17-8-6-16/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 1-(4-methyl-1,2,4-triazol-3-yl)-N-(2-morpholin-4-ylethyl)ethanamine?
1-(4-methyl-1,2,4-triazol-3-yl)-N-(2-morpholin-4-ylethyl)ethanamine has a molecular weight of 239.32 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,2,4-triazol-3-yl)-N-(2-morpholin-4-ylethyl)ethanamine is sourced from PubChem (CID 55037786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).