3-(1-benzyl-1,2,4-triazol-3-yl)morpholine

C13H16N4O — CID 110209429

IUPAC3-(1-benzyl-1,2,4-triazol-3-yl)morpholine
SMILESc1ccc(Cn2cnc(C3COCCN3)n2)cc1
InChIInChI=1S/C13H16N4O/c1-2-4-11(5-3-1)8-17-10-15-13(16-17)12-9-18-7-6-14-12/h1-5,10,12,14H,6-9H2
InChIKeyVSVWEXVHQNNNCH-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.99
Rot. Bonds3

About 3-(1-benzyl-1,2,4-triazol-3-yl)morpholine

3-(1-benzyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 110209429) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(1-benzyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name3-(1-benzyl-1,2,4-triazol-3-yl)morpholine
PubChem CID110209429
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-(1-benzyl-1,2,4-triazol-3-yl)morpholine
SMILESc1ccc(Cn2cnc(C3COCCN3)n2)cc1
InChIInChI=1S/C13H16N4O/c1-2-4-11(5-3-1)8-17-10-15-13(16-17)12-9-18-7-6-14-12/h1-5,10,12,14H,6-9H2
InChIKeyVSVWEXVHQNNNCH-UHFFFAOYSA-N
XLogP0.99
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(2S)-1-benzylpiperidin-2-yl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol
CID 97444773
N-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-methoxy-N-(4-methylbenzyl)ethanamine
CID 50969678
4-benzyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide
CID 51084744
1-(1-Benzylpiperidin-4-yl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53499983
4-benzyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]piperazine-1-carboxamide
CID 71867641
4-[3-[2-[(4-Fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]morpholine
CID 72915062
(1-benzyl-1,2,4-triazol-3-yl)methyl N-cyclohexylcarbamate
CID 145976108
4-(3-phenyl-4H-1,2,4-triazol-4-yl)piperidine
CID 13375843
2-{[2-(2,4-difluorophenyl)-1-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]amino}ethan-1-ol hydrochloride
CID 155970351
2-((2-(2,4-difluorophenyl)-1-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl)amino)ethan-1-ol
CID 155970352
4-[1-(2,4-Difluorophenyl)ethyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 128965875
1-[(1R)-2,2-difluoro-1-phenylethyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 129487855

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 3-(1-benzyl-1,2,4-triazol-3-yl)morpholine (CID 110209429) is 3-(1-benzyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 3-(1-benzyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 3-(1-benzyl-1,2,4-triazol-3-yl)morpholine is c1ccc(Cn2cnc(C3COCCN3)n2)cc1.
What is the InChIKey of 3-(1-benzyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is VSVWEXVHQNNNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-4-11(5-3-1)8-17-10-15-13(16-17)12-9-18-7-6-14-12/h1-5,10,12,14H,6-9H2.
What are the key properties of 3-(1-benzyl-1,2,4-triazol-3-yl)morpholine?
3-(1-benzyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 244.30 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 110209429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).