3-ethyl-4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]morpholine

C12H22N4O — CID 141028773

IUPAC3-ethyl-4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]morpholine
SMILESCCC1COCCN1CCCn1ncnc1C
InChIInChI=1S/C12H22N4O/c1-3-12-9-17-8-7-15(12)5-4-6-16-11(2)13-10-14-16/h10,12H,3-9H2,1-2H3
InChIKeyNUOJOWKPWDRDDC-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.09
Rot. Bonds5

About 3-ethyl-4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]morpholine

3-ethyl-4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]morpholine (PubChem CID 141028773) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-ethyl-4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]morpholine.

Molecular Properties

Compound Name3-ethyl-4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]morpholine
PubChem CID141028773
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-ethyl-4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]morpholine
SMILESCCC1COCCN1CCCn1ncnc1C
InChIInChI=1S/C12H22N4O/c1-3-12-9-17-8-7-15(12)5-4-6-16-11(2)13-10-14-16/h10,12H,3-9H2,1-2H3
InChIKeyNUOJOWKPWDRDDC-UHFFFAOYSA-N
XLogP1.09
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 95750736
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CID 95750737
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CID 129621332
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CID 131936996
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CID 70727384
CID 70727384

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]morpholine?
The IUPAC name of 3-ethyl-4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]morpholine (CID 141028773) is 3-ethyl-4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]morpholine.
What is the SMILES notation for 3-ethyl-4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]morpholine?
The canonical SMILES for 3-ethyl-4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]morpholine is CCC1COCCN1CCCn1ncnc1C.
What is the InChIKey of 3-ethyl-4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]morpholine?
The InChIKey is NUOJOWKPWDRDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-12-9-17-8-7-15(12)5-4-6-16-11(2)13-10-14-16/h10,12H,3-9H2,1-2H3.
What are the key properties of 3-ethyl-4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]morpholine?
3-ethyl-4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]morpholine has a molecular weight of 238.33 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]morpholine is sourced from PubChem (CID 141028773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).