2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-4-methylmorpholine

C10H17ClN4O — CID 79182053

IUPAC2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-4-methylmorpholine
SMILESCN1CCOC(Cn2cc(CCCl)nn2)C1
InChIInChI=1S/C10H17ClN4O/c1-14-4-5-16-10(7-14)8-15-6-9(2-3-11)12-13-15/h6,10H,2-5,7-8H2,1H3
InChIKeyXUJKQNAKBRRHBH-UHFFFAOYSA-N
MW244.73 g/mol
LogP0.39
Rot. Bonds4

About 2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-4-methylmorpholine

2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-4-methylmorpholine (PubChem CID 79182053) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-4-methylmorpholine.

Molecular Properties

Compound Name2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-4-methylmorpholine
PubChem CID79182053
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-4-methylmorpholine
SMILESCN1CCOC(Cn2cc(CCCl)nn2)C1
InChIInChI=1S/C10H17ClN4O/c1-14-4-5-16-10(7-14)8-15-6-9(2-3-11)12-13-15/h6,10H,2-5,7-8H2,1H3
InChIKeyXUJKQNAKBRRHBH-UHFFFAOYSA-N
XLogP0.39
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[[1-[(4-methylmorpholin-2-yl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 79183117
2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-4-(2-methylpropyl)morpholine
CID 62394416
[1-[(4-ethylmorpholin-2-yl)methyl]triazol-4-yl]methanol
CID 79183183
3-[[4-(2-chloroethyl)triazol-1-yl]methyl]-1-methylsulfonylpiperidine
CID 79622809
4-(2-chloroethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazole
CID 102900168
N-[[1-[(4-propan-2-ylmorpholin-2-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66192747
4-(2-chloroethyl)-1-(2-methoxyethyl)triazole
CID 62400473
3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine
CID 106220963
1-[(4-methylmorpholin-2-yl)methyl]imidazol-4-amine
CID 165465345
(3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol
CID 115278442
4-[1-(oxan-2-ylmethyl)triazol-4-yl]butan-1-amine
CID 113424709
N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine
CID 66214826

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-4-methylmorpholine?
The IUPAC name of 2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-4-methylmorpholine (CID 79182053) is 2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-4-methylmorpholine.
What is the SMILES notation for 2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-4-methylmorpholine?
The canonical SMILES for 2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-4-methylmorpholine is CN1CCOC(Cn2cc(CCCl)nn2)C1.
What is the InChIKey of 2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-4-methylmorpholine?
The InChIKey is XUJKQNAKBRRHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-14-4-5-16-10(7-14)8-15-6-9(2-3-11)12-13-15/h6,10H,2-5,7-8H2,1H3.
What are the key properties of 2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-4-methylmorpholine?
2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-4-methylmorpholine has a molecular weight of 244.73 g/mol, XLogP of 0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-4-methylmorpholine is sourced from PubChem (CID 79182053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).