1-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone

C15H16N6O — CID 94654421

IUPAC1-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
SMILESC[C@@H]1c2cccn2CCN1C(=O)Cc1nc2ncccn2n1
InChIInChI=1S/C15H16N6O/c1-11-12-4-2-6-19(12)8-9-20(11)14(22)10-13-17-15-16-5-3-7-21(15)18-13/h2-7,11H,8-10H2,1H3/t11-/m1/s1
InChIKeyVEQHDZNVKZICPH-LLVKDONJSA-N
MW296.33 g/mol
LogP1.07
Rot. Bonds2

About 1-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone

1-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone (PubChem CID 94654421) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone.

Molecular Properties

Compound Name1-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
PubChem CID94654421
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name1-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
SMILESC[C@@H]1c2cccn2CCN1C(=O)Cc1nc2ncccn2n1
InChIInChI=1S/C15H16N6O/c1-11-12-4-2-6-19(12)8-9-20(11)14(22)10-13-17-15-16-5-3-7-21(15)18-13/h2-7,11H,8-10H2,1H3/t11-/m1/s1
InChIKeyVEQHDZNVKZICPH-LLVKDONJSA-N
XLogP1.07
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone?
The IUPAC name of 1-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone (CID 94654421) is 1-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone.
What is the SMILES notation for 1-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone?
The canonical SMILES for 1-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone is C[C@@H]1c2cccn2CCN1C(=O)Cc1nc2ncccn2n1.
What is the InChIKey of 1-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone?
The InChIKey is VEQHDZNVKZICPH-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16N6O/c1-11-12-4-2-6-19(12)8-9-20(11)14(22)10-13-17-15-16-5-3-7-21(15)18-13/h2-7,11H,8-10H2,1H3/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone?
1-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone has a molecular weight of 296.33 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone is sourced from PubChem (CID 94654421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).