1-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone

C16H18N6O2 — CID 95136428

IUPAC1-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone
SMILESCc1ccc2n1CCN(C(=O)COc1ccc3nncn3n1)[C@@H]2C
InChIInChI=1S/C16H18N6O2/c1-11-3-4-13-12(2)21(8-7-20(11)13)16(23)9-24-15-6-5-14-18-17-10-22(14)19-15/h3-6,10,12H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyTXEGMPVUYJRIKQ-GFCCVEGCSA-N
MW326.36 g/mol
LogP1.22
Rot. Bonds3

About 1-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone

1-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone (PubChem CID 95136428) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone.

Molecular Properties

Compound Name1-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone
PubChem CID95136428
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name1-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone
SMILESCc1ccc2n1CCN(C(=O)COc1ccc3nncn3n1)[C@@H]2C
InChIInChI=1S/C16H18N6O2/c1-11-3-4-13-12(2)21(8-7-20(11)13)16(23)9-24-15-6-5-14-18-17-10-22(14)19-15/h3-6,10,12H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyTXEGMPVUYJRIKQ-GFCCVEGCSA-N
XLogP1.22
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone with MolForge

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Related Compounds

1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxyethanone
CID 60724893
1-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone
CID 70755407
1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 60628219
1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentane-1,4-dione
CID 65417599
1-[2-(2-phenylethyl)piperidin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone
CID 70761103
1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(ethylamino)propan-1-one
CID 55121527
6-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one
CID 54869090
1-[3-(4-chlorophenyl)piperidin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone
CID 90649407
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide
CID 91839562
1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone
CID 91797865
1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(propan-2-ylamino)butan-1-one
CID 60937207
(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(2H-triazol-4-yl)methanone
CID 79806177

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone?
The IUPAC name of 1-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone (CID 95136428) is 1-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone.
What is the SMILES notation for 1-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone?
The canonical SMILES for 1-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone is Cc1ccc2n1CCN(C(=O)COc1ccc3nncn3n1)[C@@H]2C.
What is the InChIKey of 1-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone?
The InChIKey is TXEGMPVUYJRIKQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-11-3-4-13-12(2)21(8-7-20(11)13)16(23)9-24-15-6-5-14-18-17-10-22(14)19-15/h3-6,10,12H,7-9H2,1-2H3/t12-/m1/s1.
What are the key properties of 1-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone?
1-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone has a molecular weight of 326.36 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone is sourced from PubChem (CID 95136428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).