[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone

C15H20N6O2 — CID 128985149

IUPAC[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
SMILESCO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)c2nc(C)c(C)nc2C)C1
InChIInChI=1S/C15H20N6O2/c1-8-9(2)19-13(10(3)18-8)15(22)21-6-11(23-4)5-12(21)14-16-7-17-20-14/h7,11-12H,5-6H2,1-4H3,(H,16,17,20)/t11-,12+/m1/s1
InChIKeyFLXCJIDNNSEWQZ-NEPJUHHUSA-N
MW316.37 g/mol
LogP1.12
Rot. Bonds3

About [(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone

[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone (PubChem CID 128985149) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is [(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
PubChem CID128985149
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
SMILESCO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)c2nc(C)c(C)nc2C)C1
InChIInChI=1S/C15H20N6O2/c1-8-9(2)19-13(10(3)18-8)15(22)21-6-11(23-4)5-12(21)14-16-7-17-20-14/h7,11-12H,5-6H2,1-4H3,(H,16,17,20)/t11-,12+/m1/s1
InChIKeyFLXCJIDNNSEWQZ-NEPJUHHUSA-N
XLogP1.12
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone with MolForge

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Related Compounds

(3-chloro-2-methylphenyl)-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 128985182
1-benzofuran-2-yl-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 128985395
[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 128985231
(2-cyclopropylquinolin-4-yl)-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 154737146
1-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 128990463
1-[2-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylpyridin-2-one
CID 128985321
2-[3-(methoxymethyl)phenyl]-1-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone
CID 128985320
1-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone
CID 128985253
(2S,4R)-4-methoxy-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide
CID 128889278
(2S,4R)-N-(1-cyclobutylpiperidin-4-yl)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide
CID 128889287
2-(2,3-dihydroindol-1-yl)-1-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone
CID 128985139
5-[(2S,4R)-4-methoxy-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 128982701

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone?
The IUPAC name of [(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone (CID 128985149) is [(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone.
What is the SMILES notation for [(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone?
The canonical SMILES for [(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone is CO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)c2nc(C)c(C)nc2C)C1.
What is the InChIKey of [(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone?
The InChIKey is FLXCJIDNNSEWQZ-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-8-9(2)19-13(10(3)18-8)15(22)21-6-11(23-4)5-12(21)14-16-7-17-20-14/h7,11-12H,5-6H2,1-4H3,(H,16,17,20)/t11-,12+/m1/s1.
What are the key properties of [(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone?
[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone has a molecular weight of 316.37 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone is sourced from PubChem (CID 128985149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).