6-[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-phenylpyridazin-3-one

C19H22N4O2 — CID 95321311

IUPAC6-[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-phenylpyridazin-3-one
SMILESC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C19H22N4O2/c1-14-12-21-11-5-8-16(21)13-22(14)19(25)17-9-10-18(24)23(20-17)15-6-3-2-4-7-15/h2-4,6-7,9-10,14,16H,5,8,11-13H2,1H3/t14-,16-/m1/s1
InChIKeyJHQZKOCBEGBYIV-GDBMZVCRSA-N
MW338.41 g/mol
LogP1.54
Rot. Bonds2

About 6-[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-phenylpyridazin-3-one

6-[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-phenylpyridazin-3-one (PubChem CID 95321311) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-phenylpyridazin-3-one
PubChem CID95321311
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name6-[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-phenylpyridazin-3-one
SMILESC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C19H22N4O2/c1-14-12-21-11-5-8-16(21)13-22(14)19(25)17-9-10-18(24)23(20-17)15-6-3-2-4-7-15/h2-4,6-7,9-10,14,16H,5,8,11-13H2,1H3/t14-,16-/m1/s1
InChIKeyJHQZKOCBEGBYIV-GDBMZVCRSA-N
XLogP1.54
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-phenylpyridazin-3-one with MolForge

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Related Compounds

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CID 56811651
6-[(3S)-3-methylmorpholine-4-carbonyl]-2-phenylpyridazin-3-one
CID 94095562
(6-aminopyridazin-3-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 79945203
(6-chloro-2-pyridinyl)-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 78992303
(6-hydrazinyl-2-pyridinyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 79945698
6-oxo-1-phenylpyridazine-3-carboxylic acid
CID 16771713
5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one
CID 78959581
6-[3-(dimethylamino)azetidine-1-carbonyl]-2-phenylpyridazin-3-one
CID 100666593
[5-(methylamino)-2-pyridinyl]-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 104641770
(3-bromophenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 78960096
(2-iodophenyl)-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 78992348
[1-(2-aminoethyl)triazol-4-yl]-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 79938031

Frequently Asked Questions

What is the IUPAC name of 6-[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-phenylpyridazin-3-one?
The IUPAC name of 6-[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-phenylpyridazin-3-one (CID 95321311) is 6-[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-phenylpyridazin-3-one?
The canonical SMILES for 6-[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-phenylpyridazin-3-one is C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of 6-[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-phenylpyridazin-3-one?
The InChIKey is JHQZKOCBEGBYIV-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-12-21-11-5-8-16(21)13-22(14)19(25)17-9-10-18(24)23(20-17)15-6-3-2-4-7-15/h2-4,6-7,9-10,14,16H,5,8,11-13H2,1H3/t14-,16-/m1/s1.
What are the key properties of 6-[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-phenylpyridazin-3-one?
6-[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-phenylpyridazin-3-one has a molecular weight of 338.41 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 95321311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).