2-[4-(aminomethyl)triazol-1-yl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone

C12H21N5O2 — CID 115459017

IUPAC2-[4-(aminomethyl)triazol-1-yl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone
SMILESCCC1COC(C)CN1C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C12H21N5O2/c1-3-11-8-19-9(2)5-17(11)12(18)7-16-6-10(4-13)14-15-16/h6,9,11H,3-5,7-8,13H2,1-2H3
InChIKeyACHKJZKETLLBAN-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.24
Rot. Bonds4

About 2-[4-(aminomethyl)triazol-1-yl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone

2-[4-(aminomethyl)triazol-1-yl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone (PubChem CID 115459017) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone
PubChem CID115459017
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone
SMILESCCC1COC(C)CN1C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C12H21N5O2/c1-3-11-8-19-9(2)5-17(11)12(18)7-16-6-10(4-13)14-15-16/h6,9,11H,3-5,7-8,13H2,1-2H3
InChIKeyACHKJZKETLLBAN-UHFFFAOYSA-N
XLogP-0.24
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(aminomethyl)phenyl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone
CID 63589592
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide
CID 115459404
4-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one
CID 43579218
2-[4-(aminomethyl)triazol-1-yl]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 113314232
2-(4-aminopyrazol-1-yl)-1-(2,5-dimethylmorpholin-4-yl)ethanone
CID 43544114
2-(2-aminophenyl)-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone
CID 43574117
(2S,4S)-1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115459973
4-[2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoethyl]benzenecarbothioamide
CID 63589981
[5-(aminomethyl)-2-pyridinyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 55229054
2-[4-(aminomethyl)triazol-1-yl]-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 115459780
3-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one;hydrochloride
CID 119682269
(3,5-diaminophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 61093877

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone (CID 115459017) is 2-[4-(aminomethyl)triazol-1-yl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone is CCC1COC(C)CN1C(=O)Cn1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone?
The InChIKey is ACHKJZKETLLBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-3-11-8-19-9(2)5-17(11)12(18)7-16-6-10(4-13)14-15-16/h6,9,11H,3-5,7-8,13H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone?
2-[4-(aminomethyl)triazol-1-yl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone has a molecular weight of 267.33 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 115459017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).