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

C13H22N4O2 — CID 79657756

IUPAC2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
SMILESCCn1ncnc1CC(=O)C1CN(C(C)C)CCO1
InChIInChI=1S/C13H22N4O2/c1-4-17-13(14-9-15-17)7-11(18)12-8-16(10(2)3)5-6-19-12/h9-10,12H,4-8H2,1-3H3
InChIKeyZCKVSMIWQHYMRV-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.52
Rot. Bonds5

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

2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone (PubChem CID 79657756) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
PubChem CID79657756
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
SMILESCCn1ncnc1CC(=O)C1CN(C(C)C)CCO1
InChIInChI=1S/C13H22N4O2/c1-4-17-13(14-9-15-17)7-11(18)12-8-16(10(2)3)5-6-19-12/h9-10,12H,4-8H2,1-3H3
InChIKeyZCKVSMIWQHYMRV-UHFFFAOYSA-N
XLogP0.52
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79665135
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669620
2-(4-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79664016
1-(1,4-dimethylpiperazin-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanone
CID 79659230
2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 113454527
1-(2-ethyl-1,2,4-triazol-3-yl)-3-hydroxybutan-2-one
CID 103451467
2-(5-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657983
2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657291
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79663777
methyl 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxylate
CID 113331028
2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657371
2-(2-chloro-4-methylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 106867043

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
The IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone (CID 79657756) is 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone.
What is the SMILES notation for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
The canonical SMILES for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone is CCn1ncnc1CC(=O)C1CN(C(C)C)CCO1.
What is the InChIKey of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
The InChIKey is ZCKVSMIWQHYMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-17-13(14-9-15-17)7-11(18)12-8-16(10(2)3)5-6-19-12/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone has a molecular weight of 266.34 g/mol, XLogP of 0.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone is sourced from PubChem (CID 79657756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).