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

C15H26N4O2 — CID 128975934

IUPAC4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
SMILESCOCC1CN(Cc2nnc(C)n2C2CC2)CC(C)(C)O1
InChIInChI=1S/C15H26N4O2/c1-11-16-17-14(19(11)12-5-6-12)8-18-7-13(9-20-4)21-15(2,3)10-18/h12-13H,5-10H2,1-4H3
InChIKeyFCDUEFPHKHLDCH-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.55
Rot. Bonds5

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

4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine (PubChem CID 128975934) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
PubChem CID128975934
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
SMILESCOCC1CN(Cc2nnc(C)n2C2CC2)CC(C)(C)O1
InChIInChI=1S/C15H26N4O2/c1-11-16-17-14(19(11)12-5-6-12)8-18-7-13(9-20-4)21-15(2,3)10-18/h12-13H,5-10H2,1-4H3
InChIKeyFCDUEFPHKHLDCH-UHFFFAOYSA-N
XLogP1.55
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine with MolForge

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Related Compounds

4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 128978245
(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
(6S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 129345524
[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779886
(6R)-6-(methoxymethyl)-2,2-dimethyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 129345533
6-(methoxymethyl)-2,2-dimethyl-4-[(3-methylquinoxalin-2-yl)methyl]morpholine
CID 128978215
(6R)-6-(methoxymethyl)-2,2-dimethyl-4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 129345619
(6S)-6-(methoxymethyl)-2,2-dimethyl-4-[(3-methyltriazol-4-yl)methyl]morpholine
CID 129491465
(6S)-4-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 167885794
4-[[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]pyridin-2-amine
CID 128975935
6-(methoxymethyl)-2,2-dimethyl-4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine
CID 154738911

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
The IUPAC name of 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine (CID 128975934) is 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine.
What is the SMILES notation for 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
The canonical SMILES for 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine is COCC1CN(Cc2nnc(C)n2C2CC2)CC(C)(C)O1.
What is the InChIKey of 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
The InChIKey is FCDUEFPHKHLDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11-16-17-14(19(11)12-5-6-12)8-18-7-13(9-20-4)21-15(2,3)10-18/h12-13H,5-10H2,1-4H3.
What are the key properties of 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine has a molecular weight of 294.40 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 128975934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).