N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5-dimethylmorpholine-4-carboxamide

C12H21N5O2 — CID 75397424

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5-dimethylmorpholine-4-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CC(C)OCC1C
InChIInChI=1S/C12H21N5O2/c1-4-16-8-14-15-11(16)5-13-12(18)17-6-10(3)19-7-9(17)2/h8-10H,4-7H2,1-3H3,(H,13,18)
InChIKeyAGEJXQWLYQORBW-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.62
Rot. Bonds3

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5-dimethylmorpholine-4-carboxamide

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5-dimethylmorpholine-4-carboxamide (PubChem CID 75397424) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5-dimethylmorpholine-4-carboxamide
PubChem CID75397424
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5-dimethylmorpholine-4-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CC(C)OCC1C
InChIInChI=1S/C12H21N5O2/c1-4-16-8-14-15-11(16)5-13-12(18)17-6-10(3)19-7-9(17)2/h8-10H,4-7H2,1-3H3,(H,13,18)
InChIKeyAGEJXQWLYQORBW-UHFFFAOYSA-N
XLogP0.62
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5-dimethylmorpholine-4-carboxamide (CID 75397424) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5-dimethylmorpholine-4-carboxamide is CCn1cnnc1CNC(=O)N1CC(C)OCC1C.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5-dimethylmorpholine-4-carboxamide?
The InChIKey is AGEJXQWLYQORBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-16-8-14-15-11(16)5-13-12(18)17-6-10(3)19-7-9(17)2/h8-10H,4-7H2,1-3H3,(H,13,18).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5-dimethylmorpholine-4-carboxamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5-dimethylmorpholine-4-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 75397424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).