2H-triazol-4-yl-[(3S)-2,2,3-trimethylmorpholin-4-yl]methanone

C10H16N4O2 — CID 164643088

IUPAC2H-triazol-4-yl-[(3S)-2,2,3-trimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1N(C(=O)c2cn[nH]n2)CCOC1(C)C
InChIInChI=1S/C10H16N4O2/c1-7-10(2,3)16-5-4-14(7)9(15)8-6-11-13-12-8/h6-7H,4-5H2,1-3H3,(H,11,12,13)/t7-/m0/s1
InChIKeyQFOFJTPLUBLPBX-ZETCQYMHSA-N
MW224.26 g/mol
LogP0.44
Rot. Bonds1

About 2H-triazol-4-yl-[(3S)-2,2,3-trimethylmorpholin-4-yl]methanone

2H-triazol-4-yl-[(3S)-2,2,3-trimethylmorpholin-4-yl]methanone (PubChem CID 164643088) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2H-triazol-4-yl-[(3S)-2,2,3-trimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name2H-triazol-4-yl-[(3S)-2,2,3-trimethylmorpholin-4-yl]methanone
PubChem CID164643088
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2H-triazol-4-yl-[(3S)-2,2,3-trimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1N(C(=O)c2cn[nH]n2)CCOC1(C)C
InChIInChI=1S/C10H16N4O2/c1-7-10(2,3)16-5-4-14(7)9(15)8-6-11-13-12-8/h6-7H,4-5H2,1-3H3,(H,11,12,13)/t7-/m0/s1
InChIKeyQFOFJTPLUBLPBX-ZETCQYMHSA-N
XLogP0.44
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-methylbutyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 53509796
N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2H-triazole-4-carboxamide
CID 56784345
[(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone
CID 94200535
N-(1,4-dioxan-2-ylmethyl)-1H-1,2,3-triazole-5-carboxamide
CID 76146806
N-ethyl-N-(2-morpholin-4-ylethyl)-1H-1,2,3-triazole-5-carboxamide
CID 74241678
2-ethyl-N-(2-methyl-2-morpholin-4-ylpropyl)triazole-4-carboxamide
CID 137973131
[(2R)-2-tert-butylmorpholin-4-yl]-(2H-triazol-4-yl)methanone
CID 164641192
[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 138571361
2,5-Dimethyl-4-(1,2,5-thiadiazole-3-carbonyl)morpholine
CID 47351602
[(2R,5R)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 94200533
N-[[4-(2-ethyltriazole-4-carbonyl)-2-methylmorpholin-2-yl]methyl]-2-fluorobutanamide
CID 138049234
(4-propan-2-ylpiperazin-1-yl)-(2H-triazol-4-yl)methanone
CID 78967996

Frequently Asked Questions

What is the IUPAC name of 2H-triazol-4-yl-[(3S)-2,2,3-trimethylmorpholin-4-yl]methanone?
The IUPAC name of 2H-triazol-4-yl-[(3S)-2,2,3-trimethylmorpholin-4-yl]methanone (CID 164643088) is 2H-triazol-4-yl-[(3S)-2,2,3-trimethylmorpholin-4-yl]methanone.
What is the SMILES notation for 2H-triazol-4-yl-[(3S)-2,2,3-trimethylmorpholin-4-yl]methanone?
The canonical SMILES for 2H-triazol-4-yl-[(3S)-2,2,3-trimethylmorpholin-4-yl]methanone is C[C@@H]1N(C(=O)c2cn[nH]n2)CCOC1(C)C.
What is the InChIKey of 2H-triazol-4-yl-[(3S)-2,2,3-trimethylmorpholin-4-yl]methanone?
The InChIKey is QFOFJTPLUBLPBX-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-10(2,3)16-5-4-14(7)9(15)8-6-11-13-12-8/h6-7H,4-5H2,1-3H3,(H,11,12,13)/t7-/m0/s1.
What are the key properties of 2H-triazol-4-yl-[(3S)-2,2,3-trimethylmorpholin-4-yl]methanone?
2H-triazol-4-yl-[(3S)-2,2,3-trimethylmorpholin-4-yl]methanone has a molecular weight of 224.26 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-triazol-4-yl-[(3S)-2,2,3-trimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 164643088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).