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

C16H22N4O3 — CID 128996806

IUPAC4-[(2,3-dimethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCOc1cccc(CN2CCOC(c3nncn3C)C2)c1OC
InChIInChI=1S/C16H22N4O3/c1-19-11-17-18-16(19)14-10-20(7-8-23-14)9-12-5-4-6-13(21-2)15(12)22-3/h4-6,11,14H,7-10H2,1-3H3
InChIKeyRONUSAYKSZWAIJ-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.41
Rot. Bonds5

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

4-[(2,3-dimethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 128996806) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-[(2,3-dimethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name4-[(2,3-dimethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
PubChem CID128996806
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name4-[(2,3-dimethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCOc1cccc(CN2CCOC(c3nncn3C)C2)c1OC
InChIInChI=1S/C16H22N4O3/c1-19-11-17-18-16(19)14-10-20(7-8-23-14)9-12-5-4-6-13(21-2)15(12)22-3/h4-6,11,14H,7-10H2,1-3H3
InChIKeyRONUSAYKSZWAIJ-UHFFFAOYSA-N
XLogP1.41
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(2,3-dimethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine
CID 110218665
(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine
CID 92600896
(2S)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129342775
(2R)-4-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129342344
4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 65067016
(2R)-4-[(5-ethylfuran-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129336988
(2S)-2-(4-methyl-1,2,4-triazol-3-yl)-4-(quinolin-2-ylmethyl)morpholine
CID 129341152
(2R)-4-(3-methylbut-2-enyl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129331001
4-[2-(4-methoxyphenyl)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129007338
4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 128991953
1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 113281872
2-isoquinolin-3-yl-4-[(2-methoxyphenyl)methyl]morpholine
CID 110218627

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 4-[(2,3-dimethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine (CID 128996806) is 4-[(2,3-dimethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 4-[(2,3-dimethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 4-[(2,3-dimethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine is COc1cccc(CN2CCOC(c3nncn3C)C2)c1OC.
What is the InChIKey of 4-[(2,3-dimethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is RONUSAYKSZWAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-19-11-17-18-16(19)14-10-20(7-8-23-14)9-12-5-4-6-13(21-2)15(12)22-3/h4-6,11,14H,7-10H2,1-3H3.
What are the key properties of 4-[(2,3-dimethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
4-[(2,3-dimethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 318.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 128996806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).