[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-pyrazin-2-ylmethanone

C13H16N6O2 — CID 96996948

IUPAC[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
SMILESCCc1nc([C@@H]2CN(C(=O)c3cnccn3)CCO2)n[nH]1
InChIInChI=1S/C13H16N6O2/c1-2-11-16-12(18-17-11)10-8-19(5-6-21-10)13(20)9-7-14-3-4-15-9/h3-4,7,10H,2,5-6,8H2,1H3,(H,16,17,18)/t10-/m0/s1
InChIKeyGABFQQNKBUROGM-JTQLQIEISA-N
MW288.31 g/mol
LogP0.37
Rot. Bonds3

About [(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-pyrazin-2-ylmethanone

[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-pyrazin-2-ylmethanone (PubChem CID 96996948) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is [(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
PubChem CID96996948
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
SMILESCCc1nc([C@@H]2CN(C(=O)c3cnccn3)CCO2)n[nH]1
InChIInChI=1S/C13H16N6O2/c1-2-11-16-12(18-17-11)10-8-19(5-6-21-10)13(20)9-7-14-3-4-15-9/h3-4,7,10H,2,5-6,8H2,1H3,(H,16,17,18)/t10-/m0/s1
InChIKeyGABFQQNKBUROGM-JTQLQIEISA-N
XLogP0.37
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-pyrazin-2-ylmethanone with MolForge

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Related Compounds

[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone
CID 71872925
[(2R)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 124972759
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 97059631
(1,5-dimethylpyrazol-4-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 97059633
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95845102
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 124607635
(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 96996893
(4-chloro-1H-pyrrol-2-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 71928757
[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 125008999
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 96996940
5-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide
CID 96996895
5-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide
CID 96996894

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-pyrazin-2-ylmethanone (CID 96996948) is [(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-pyrazin-2-ylmethanone is CCc1nc([C@@H]2CN(C(=O)c3cnccn3)CCO2)n[nH]1.
What is the InChIKey of [(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-pyrazin-2-ylmethanone?
The InChIKey is GABFQQNKBUROGM-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N6O2/c1-2-11-16-12(18-17-11)10-8-19(5-6-21-10)13(20)9-7-14-3-4-15-9/h3-4,7,10H,2,5-6,8H2,1H3,(H,16,17,18)/t10-/m0/s1.
What are the key properties of [(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-pyrazin-2-ylmethanone?
[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-pyrazin-2-ylmethanone has a molecular weight of 288.31 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 96996948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).