6-(methoxymethyl)-2,2-dimethyl-4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine

C18H26N4O2 — CID 154738911

IUPAC6-(methoxymethyl)-2,2-dimethyl-4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine
SMILESCOCC1CN(Cc2ccc(-n3cncn3)c(C)c2)CC(C)(C)O1
InChIInChI=1S/C18H26N4O2/c1-14-7-15(5-6-17(14)22-13-19-12-20-22)8-21-9-16(10-23-4)24-18(2,3)11-21/h5-7,12-13,16H,8-11H2,1-4H3
InChIKeyXPBVMFJMWURRAM-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.20
Rot. Bonds5

About 6-(methoxymethyl)-2,2-dimethyl-4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine

6-(methoxymethyl)-2,2-dimethyl-4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine (PubChem CID 154738911) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 6-(methoxymethyl)-2,2-dimethyl-4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name6-(methoxymethyl)-2,2-dimethyl-4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine
PubChem CID154738911
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name6-(methoxymethyl)-2,2-dimethyl-4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine
SMILESCOCC1CN(Cc2ccc(-n3cncn3)c(C)c2)CC(C)(C)O1
InChIInChI=1S/C18H26N4O2/c1-14-7-15(5-6-17(14)22-13-19-12-20-22)8-21-9-16(10-23-4)24-18(2,3)11-21/h5-7,12-13,16H,8-11H2,1-4H3
InChIKeyXPBVMFJMWURRAM-UHFFFAOYSA-N
XLogP2.20
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(methoxymethyl)-2,2-dimethyl-4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine with MolForge

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Related Compounds

4-[[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]pyridin-2-amine
CID 128975935
4-methyl-1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-amine
CID 120909410
2-fluoro-5-[[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzonitrile
CID 129482269
9-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 75500687
4-[1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]oxypyridine
CID 75439533
(6R)-6-(methoxymethyl)-2,2-dimethyl-4-(pyrimidin-2-ylmethyl)morpholine
CID 129350849
(6S)-6-(methoxymethyl)-2,2-dimethyl-4-(pyrimidin-2-ylmethyl)morpholine
CID 129350850
4-[[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]-N-methylbenzamide
CID 129483089
2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907058
3-ethyl-9-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 75439988
(6S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 129345524
6-(methoxymethyl)-2,2-dimethyl-4-[(3-methylquinoxalin-2-yl)methyl]morpholine
CID 128978215

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2,2-dimethyl-4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine?
The IUPAC name of 6-(methoxymethyl)-2,2-dimethyl-4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine (CID 154738911) is 6-(methoxymethyl)-2,2-dimethyl-4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine.
What is the SMILES notation for 6-(methoxymethyl)-2,2-dimethyl-4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine?
The canonical SMILES for 6-(methoxymethyl)-2,2-dimethyl-4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine is COCC1CN(Cc2ccc(-n3cncn3)c(C)c2)CC(C)(C)O1.
What is the InChIKey of 6-(methoxymethyl)-2,2-dimethyl-4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine?
The InChIKey is XPBVMFJMWURRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-14-7-15(5-6-17(14)22-13-19-12-20-22)8-21-9-16(10-23-4)24-18(2,3)11-21/h5-7,12-13,16H,8-11H2,1-4H3.
What are the key properties of 6-(methoxymethyl)-2,2-dimethyl-4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine?
6-(methoxymethyl)-2,2-dimethyl-4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine has a molecular weight of 330.43 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2,2-dimethyl-4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine is sourced from PubChem (CID 154738911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).