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

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Related Compounds

1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 53603902
1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 56780838
propyl 3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 70708723
2-[({5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)(methyl)amino]ethanol
CID 70710980
3-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(propoxyacetyl)piperidine
CID 70714643
4-({3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}carbonyl)morpholine
CID 70720360
1-methyl-4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 70721637
4-({5-[1-(ethylsulfonyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70726657
2-[{[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}(methyl)amino]ethanol
CID 70738024
2-{3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}acetamide
CID 70770563
1-{[4-methyl-5-(1-methylpiperidin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-4-ol
CID 70772748
N-ethyl-N-methyl-2-{3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}-2-oxoethanamine
CID 70775487

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).