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

C10H18N4O — CID 18726740

IUPAC4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine
SMILESCCc1nnc(CN2CCOCC2)n1C
InChIInChI=1S/C10H18N4O/c1-3-9-11-12-10(13(9)2)8-14-4-6-15-7-5-14/h3-8H2,1-2H3
InChIKeyVULBURHEILLEOZ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.21
Rot. Bonds3

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

4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine (PubChem CID 18726740) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine
PubChem CID18726740
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine
SMILESCCc1nnc(CN2CCOCC2)n1C
InChIInChI=1S/C10H18N4O/c1-3-9-11-12-10(13(9)2)8-14-4-6-15-7-5-14/h3-8H2,1-2H3
InChIKeyVULBURHEILLEOZ-UHFFFAOYSA-N
XLogP0.21
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-{[4-methyl-5-(propylthio)-4H-1,2,4-triazol-3-yl]methyl}morpholine
CID 2201244
4-{[4-methyl-5-(1-methylpiperidin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}morpholine
CID 70704629
7-(2-ethoxyethyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 71878548
(1S)-1-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}ethan-1-amine
CID 96850208
N,N-dimethyl-1-[4-methyl-5-[(2R)-2-propan-2-ylmorpholin-4-yl]-1,2,4-triazol-3-yl]methanamine
CID 164636521
(6S)-2,2-dimethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)morpholine
CID 164637436
8-(methoxymethyl)-7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 163390370
(8S)-8-(methoxymethyl)-7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 170928341
(8R)-8-(methoxymethyl)-7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 170928368
4-(5-Ethyl-1-methyl-1,2,4-triazol-3-yl)morpholine
CID 3585966
[4-(2-Methoxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 103213767
2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 109859077

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine?
The IUPAC name of 4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine (CID 18726740) is 4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine.
What is the SMILES notation for 4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine?
The canonical SMILES for 4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine is CCc1nnc(CN2CCOCC2)n1C.
What is the InChIKey of 4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine?
The InChIKey is VULBURHEILLEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-9-11-12-10(13(9)2)8-14-4-6-15-7-5-14/h3-8H2,1-2H3.
What are the key properties of 4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine?
4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine has a molecular weight of 210.28 g/mol, XLogP of 0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine is sourced from PubChem (CID 18726740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).