1-benzyl-6a-methyl-5-(6-phenylpyridazin-3-yl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrole

C24H26N4 — CID 11428677

IUPAC1-benzyl-6a-methyl-5-(6-phenylpyridazin-3-yl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrole
SMILESCC12CN(c3ccc(-c4ccccc4)nn3)CC1CCN2Cc1ccccc1
InChIInChI=1S/C24H26N4/c1-24-18-27(23-13-12-22(25-26-23)20-10-6-3-7-11-20)17-21(24)14-15-28(24)16-19-8-4-2-5-9-19/h2-13,21H,14-18H2,1H3
InChIKeyRUWQFMDOOAJFBG-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.24
Rot. Bonds4

About 1-benzyl-6a-methyl-5-(6-phenylpyridazin-3-yl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrole

1-benzyl-6a-methyl-5-(6-phenylpyridazin-3-yl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrole (PubChem CID 11428677) has the molecular formula C24H26N4 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-benzyl-6a-methyl-5-(6-phenylpyridazin-3-yl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrole.

Molecular Properties

Compound Name1-benzyl-6a-methyl-5-(6-phenylpyridazin-3-yl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrole
PubChem CID11428677
Molecular FormulaC24H26N4
Molecular Weight370.50 g/mol
Exact Mass370.22
IUPAC Name1-benzyl-6a-methyl-5-(6-phenylpyridazin-3-yl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrole
SMILESCC12CN(c3ccc(-c4ccccc4)nn3)CC1CCN2Cc1ccccc1
InChIInChI=1S/C24H26N4/c1-24-18-27(23-13-12-22(25-26-23)20-10-6-3-7-11-20)17-21(24)14-15-28(24)16-19-8-4-2-5-9-19/h2-13,21H,14-18H2,1H3
InChIKeyRUWQFMDOOAJFBG-UHFFFAOYSA-N
XLogP4.24
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,5S)-2-benzyl-1-methyl-2-azabicyclo[3.1.0]hexane
CID 101450566
N-benzyl-N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine
CID 46225105
(3aS,6aS)-2-benzyl-5-(6-pyridin-4-ylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126422429
(3aR,6aR)-2-benzyl-5-(6-pyridin-4-ylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126422430
1-(6-phenylpyridazin-3-yl)piperidin-4-ol
CID 3022103
(4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30866604
1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 116972743
ethyl 2-methyl-5-(6-phenylpyridazin-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylate;dihydrochloride
CID 67163391
2-methyl-5-(6-phenylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrochloride
CID 67162119
(3aR,6aS)-5-(6-phenylpyridazin-3-yl)-2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 46225140
(3S,4R)-4-phenyl-1-(6-phenylpyridazin-3-yl)piperidin-3-ol
CID 162633912
[(3aS,6aS)-3a-(hydroxymethyl)-2-(6-phenylpyridazin-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 166613353

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6a-methyl-5-(6-phenylpyridazin-3-yl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrole?
The IUPAC name of 1-benzyl-6a-methyl-5-(6-phenylpyridazin-3-yl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrole (CID 11428677) is 1-benzyl-6a-methyl-5-(6-phenylpyridazin-3-yl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrole.
What is the SMILES notation for 1-benzyl-6a-methyl-5-(6-phenylpyridazin-3-yl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrole?
The canonical SMILES for 1-benzyl-6a-methyl-5-(6-phenylpyridazin-3-yl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrole is CC12CN(c3ccc(-c4ccccc4)nn3)CC1CCN2Cc1ccccc1.
What is the InChIKey of 1-benzyl-6a-methyl-5-(6-phenylpyridazin-3-yl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrole?
The InChIKey is RUWQFMDOOAJFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4/c1-24-18-27(23-13-12-22(25-26-23)20-10-6-3-7-11-20)17-21(24)14-15-28(24)16-19-8-4-2-5-9-19/h2-13,21H,14-18H2,1H3.
What are the key properties of 1-benzyl-6a-methyl-5-(6-phenylpyridazin-3-yl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrole?
1-benzyl-6a-methyl-5-(6-phenylpyridazin-3-yl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrole has a molecular weight of 370.50 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6a-methyl-5-(6-phenylpyridazin-3-yl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrole is sourced from PubChem (CID 11428677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).