4-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine

C14H26N4O2 — CID 128975933

IUPAC4-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
SMILESCCn1c(C)nnc1CN1CC(COC)OC(C)(C)C1
InChIInChI=1S/C14H26N4O2/c1-6-18-11(2)15-16-13(18)8-17-7-12(9-19-5)20-14(3,4)10-17/h12H,6-10H2,1-5H3
InChIKeyAQAJVTPQJOUICY-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.23
Rot. Bonds5

About 4-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine

4-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine (PubChem CID 128975933) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
PubChem CID128975933
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name4-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
SMILESCCn1c(C)nnc1CN1CC(COC)OC(C)(C)C1
InChIInChI=1S/C14H26N4O2/c1-6-18-11(2)15-16-13(18)8-17-7-12(9-19-5)20-14(3,4)10-17/h12H,6-10H2,1-5H3
InChIKeyAQAJVTPQJOUICY-UHFFFAOYSA-N
XLogP1.23
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
CID 64578432
1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
CID 64578628
6-(Methoxymethyl)-2,2-dimethyl-4-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholine
CID 128975956
(6R)-6-(methoxymethyl)-2,2-dimethyl-4-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholine
CID 129345498
(6S)-6-(methoxymethyl)-2,2-dimethyl-4-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholine
CID 129345499
2,2-Dimethyl-4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)morpholine
CID 137988639
2,2-Dimethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)morpholine
CID 137988644
7-[(1,4-dioxan-2-yl)methyl]-3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 163354017
(6R)-6-(methoxymethyl)-2,2-dimethyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]morpholine
CID 167796797
4-[(4-ethyl-5-methyl-4H-1,2,4-triazol-3-yl)methyl]-3-(2-methoxyethyl)morpholine
CID 137855562

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
The IUPAC name of 4-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine (CID 128975933) is 4-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine.
What is the SMILES notation for 4-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
The canonical SMILES for 4-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine is CCn1c(C)nnc1CN1CC(COC)OC(C)(C)C1.
What is the InChIKey of 4-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
The InChIKey is AQAJVTPQJOUICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-6-18-11(2)15-16-13(18)8-17-7-12(9-19-5)20-14(3,4)10-17/h12H,6-10H2,1-5H3.
What are the key properties of 4-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
4-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine has a molecular weight of 282.39 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 128975933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).