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

C14H25N5O — CID 70704629

IUPAC4-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCN1CCC(c2nnc(CN3CCOCC3)n2C)CC1
InChIInChI=1S/C14H25N5O/c1-17-5-3-12(4-6-17)14-16-15-13(18(14)2)11-19-7-9-20-10-8-19/h12H,3-11H2,1-2H3
InChIKeySFWGMWJVADWMQA-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.46
Rot. Bonds3

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

4-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 70704629) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID70704629
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name4-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCN1CCC(c2nnc(CN3CCOCC3)n2C)CC1
InChIInChI=1S/C14H25N5O/c1-17-5-3-12(4-6-17)14-16-15-13(18(14)2)11-19-7-9-20-10-8-19/h12H,3-11H2,1-2H3
InChIKeySFWGMWJVADWMQA-UHFFFAOYSA-N
XLogP0.46
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine (CID 70704629) is 4-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine is CN1CCC(c2nnc(CN3CCOCC3)n2C)CC1.
What is the InChIKey of 4-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is SFWGMWJVADWMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-17-5-3-12(4-6-17)14-16-15-13(18(14)2)11-19-7-9-20-10-8-19/h12H,3-11H2,1-2H3.
What are the key properties of 4-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 279.39 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 70704629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).