(2R)-2-imidazol-1-yl-1-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one

C15H22N6O2 — CID 96511760

IUPAC(2R)-2-imidazol-1-yl-1-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one
SMILESCC(C)c1n[nH]c([C@@H]2CN(C(=O)[C@@H](C)n3ccnc3)CCO2)n1
InChIInChI=1S/C15H22N6O2/c1-10(2)13-17-14(19-18-13)12-8-20(6-7-23-12)15(22)11(3)21-5-4-16-9-21/h4-5,9-12H,6-8H2,1-3H3,(H,17,18,19)/t11-,12+/m1/s1
InChIKeyBXFGTCAXIBQJLP-NEPJUHHUSA-N
MW318.38 g/mol
LogP1.29
Rot. Bonds4

About (2R)-2-imidazol-1-yl-1-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one

(2R)-2-imidazol-1-yl-1-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one (PubChem CID 96511760) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is (2R)-2-imidazol-1-yl-1-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-imidazol-1-yl-1-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one
PubChem CID96511760
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name(2R)-2-imidazol-1-yl-1-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one
SMILESCC(C)c1n[nH]c([C@@H]2CN(C(=O)[C@@H](C)n3ccnc3)CCO2)n1
InChIInChI=1S/C15H22N6O2/c1-10(2)13-17-14(19-18-13)12-8-20(6-7-23-12)15(22)11(3)21-5-4-16-9-21/h4-5,9-12H,6-8H2,1-3H3,(H,17,18,19)/t11-,12+/m1/s1
InChIKeyBXFGTCAXIBQJLP-NEPJUHHUSA-N
XLogP1.29
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(2S)-2-imidazol-1-yl-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one
CID 96511763
3-imidazol-1-yl-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one
CID 96511815
1-[2-(4-fluorophenyl)morpholin-4-yl]-2-imidazol-1-ylpropan-1-one
CID 56815461
(3R)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrrol-1-ylbutan-1-one
CID 96511727
(3S)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrrol-1-ylbutan-1-one
CID 96511729
imidazo[1,2-a]pyrazin-8-yl-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96512697
2-(1-propan-2-ylpyrazol-3-yl)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone
CID 96512700
2-(4-fluorophenoxy)-1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone
CID 71928752
[6-(dimethylamino)pyridazin-3-yl]-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96511678
1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one
CID 71872857
(2,5-dimethylthiophen-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 71928746
(2-methyl-1H-imidazol-5-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96512691

Frequently Asked Questions

What is the IUPAC name of (2R)-2-imidazol-1-yl-1-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of (2R)-2-imidazol-1-yl-1-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one (CID 96511760) is (2R)-2-imidazol-1-yl-1-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for (2R)-2-imidazol-1-yl-1-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for (2R)-2-imidazol-1-yl-1-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one is CC(C)c1n[nH]c([C@@H]2CN(C(=O)[C@@H](C)n3ccnc3)CCO2)n1.
What is the InChIKey of (2R)-2-imidazol-1-yl-1-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one?
The InChIKey is BXFGTCAXIBQJLP-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-10(2)13-17-14(19-18-13)12-8-20(6-7-23-12)15(22)11(3)21-5-4-16-9-21/h4-5,9-12H,6-8H2,1-3H3,(H,17,18,19)/t11-,12+/m1/s1.
What are the key properties of (2R)-2-imidazol-1-yl-1-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one?
(2R)-2-imidazol-1-yl-1-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one has a molecular weight of 318.38 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-imidazol-1-yl-1-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 96511760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).