2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylethanone

C11H19N5O2 — CID 55037788

IUPAC2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylethanone
SMILESCC(NCC(=O)N1CCOCC1)c1nncn1C
InChIInChI=1S/C11H19N5O2/c1-9(11-14-13-8-15(11)2)12-7-10(17)16-3-5-18-6-4-16/h8-9,12H,3-7H2,1-2H3
InChIKeyRNEVDXKKHLHENA-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.68
Rot. Bonds4

About 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylethanone

2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylethanone (PubChem CID 55037788) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylethanone
PubChem CID55037788
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylethanone
SMILESCC(NCC(=O)N1CCOCC1)c1nncn1C
InChIInChI=1S/C11H19N5O2/c1-9(11-14-13-8-15(11)2)12-7-10(17)16-3-5-18-6-4-16/h8-9,12H,3-7H2,1-2H3
InChIKeyRNEVDXKKHLHENA-UHFFFAOYSA-N
XLogP-0.68
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylethanone (CID 55037788) is 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylethanone is CC(NCC(=O)N1CCOCC1)c1nncn1C.
What is the InChIKey of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylethanone?
The InChIKey is RNEVDXKKHLHENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-9(11-14-13-8-15(11)2)12-7-10(17)16-3-5-18-6-4-16/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylethanone?
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylethanone has a molecular weight of 253.31 g/mol, XLogP of -0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 55037788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).