2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanone

C14H24N4O2 — CID 79669620

IUPAC2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanone
SMILESCCCN1CCOC(C(=O)Cc2ncnn2C(C)C)C1
InChIInChI=1S/C14H24N4O2/c1-4-5-17-6-7-20-13(9-17)12(19)8-14-15-10-16-18(14)11(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyUSYBILVDEOSDLW-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.08
Rot. Bonds6

About 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanone

2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanone (PubChem CID 79669620) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanone
PubChem CID79669620
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanone
SMILESCCCN1CCOC(C(=O)Cc2ncnn2C(C)C)C1
InChIInChI=1S/C14H24N4O2/c1-4-5-17-6-7-20-13(9-17)12(19)8-14-15-10-16-18(14)11(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyUSYBILVDEOSDLW-UHFFFAOYSA-N
XLogP1.08
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657756
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
CID 79087545
1-(4-propylmorpholin-2-yl)-2-pyridin-4-ylethanone
CID 79669232
2-(3,5-dimethylphenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668855
2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669702
2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79665135
methyl 2-[4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]acetate
CID 115537767
2-(3-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669537
1-(4-ethylmorpholin-2-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 79666582
2-(2-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668927
2-(3-bromothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668781
2-(3-chlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668783

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanone?
The IUPAC name of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanone (CID 79669620) is 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanone.
What is the SMILES notation for 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanone?
The canonical SMILES for 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanone is CCCN1CCOC(C(=O)Cc2ncnn2C(C)C)C1.
What is the InChIKey of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanone?
The InChIKey is USYBILVDEOSDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-5-17-6-7-20-13(9-17)12(19)8-14-15-10-16-18(14)11(2)3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanone?
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanone has a molecular weight of 280.37 g/mol, XLogP of 1.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanone is sourced from PubChem (CID 79669620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).