8-benzhydryl-4-hydroxy-6-(oxan-4-yl)-1,2,7,8-tetrahydropyrazino[1,2-b]pyridazine-3,5-dione

C25H27N3O4 — CID 154977666

IUPAC8-benzhydryl-4-hydroxy-6-(oxan-4-yl)-1,2,7,8-tetrahydropyrazino[1,2-b]pyridazine-3,5-dione
SMILESO=C1CNN2C(=C1O)C(=O)N(C1CCOCC1)CC2C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27N3O4/c29-21-15-26-28-20(22(17-7-3-1-4-8-17)18-9-5-2-6-10-18)16-27(19-11-13-32-14-12-19)25(31)23(28)24(21)30/h1-10,19-20,22,26,30H,11-16H2
InChIKeyXDINTHKFJRFXRL-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.37
Rot. Bonds4

About 8-benzhydryl-4-hydroxy-6-(oxan-4-yl)-1,2,7,8-tetrahydropyrazino[1,2-b]pyridazine-3,5-dione

8-benzhydryl-4-hydroxy-6-(oxan-4-yl)-1,2,7,8-tetrahydropyrazino[1,2-b]pyridazine-3,5-dione (PubChem CID 154977666) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 8-benzhydryl-4-hydroxy-6-(oxan-4-yl)-1,2,7,8-tetrahydropyrazino[1,2-b]pyridazine-3,5-dione.

Molecular Properties

Compound Name8-benzhydryl-4-hydroxy-6-(oxan-4-yl)-1,2,7,8-tetrahydropyrazino[1,2-b]pyridazine-3,5-dione
PubChem CID154977666
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name8-benzhydryl-4-hydroxy-6-(oxan-4-yl)-1,2,7,8-tetrahydropyrazino[1,2-b]pyridazine-3,5-dione
SMILESO=C1CNN2C(=C1O)C(=O)N(C1CCOCC1)CC2C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27N3O4/c29-21-15-26-28-20(22(17-7-3-1-4-8-17)18-9-5-2-6-10-18)16-27(19-11-13-32-14-12-19)25(31)23(28)24(21)30/h1-10,19-20,22,26,30H,11-16H2
InChIKeyXDINTHKFJRFXRL-UHFFFAOYSA-N
XLogP2.37
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-benzhydryl-4-hydroxy-6-(oxan-4-yl)-1,2,7,8-tetrahydropyrazino[1,2-b]pyridazine-3,5-dione with MolForge

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Related Compounds

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3-(4-benzoylpiperazin-1-yl)-1-(oxan-4-yl)piperidin-2-one
CID 75473640
2-benzhydryl-6,7-dihydroxy-13-oxa-1,3,10-triazatricyclo[8.5.0.03,8]pentadeca-4,7-dien-9-one
CID 139402449
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6-[(4-chlorophenyl)-cyclopentylmethyl]-9-hydroxy-2-(oxan-4-yl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 90271584
(3R,4S)-1-(oxan-4-yl)-4-phenylpyrrolidine-3-carboxylic acid
CID 166790395
1-hydroxy-3-(oxan-4-yl)-1-phenylpropan-2-one
CID 103458193
(3R)-1-(oxan-4-yl)-3-[4-(2-phenoxyacetyl)piperazin-1-yl]piperidin-2-one
CID 97342885
N-[(3S)-oxolan-3-yl]-2,2-diphenylacetamide
CID 96601820
3-(4-chlorophenyl)-1-(3-morpholin-4-ylazetidin-1-yl)-3-phenylpropan-1-one
CID 72875141
(3R,4S)-1-(oxan-4-yl)-4-phenylpyrrolidine-3-carboxylic acid;hydrochloride
CID 166790458
2-[(1S,2R)-2-morpholin-4-ylcyclohexyl]-2-phenylacetic acid;hydrochloride
CID 22873287

Frequently Asked Questions

What is the IUPAC name of 8-benzhydryl-4-hydroxy-6-(oxan-4-yl)-1,2,7,8-tetrahydropyrazino[1,2-b]pyridazine-3,5-dione?
The IUPAC name of 8-benzhydryl-4-hydroxy-6-(oxan-4-yl)-1,2,7,8-tetrahydropyrazino[1,2-b]pyridazine-3,5-dione (CID 154977666) is 8-benzhydryl-4-hydroxy-6-(oxan-4-yl)-1,2,7,8-tetrahydropyrazino[1,2-b]pyridazine-3,5-dione.
What is the SMILES notation for 8-benzhydryl-4-hydroxy-6-(oxan-4-yl)-1,2,7,8-tetrahydropyrazino[1,2-b]pyridazine-3,5-dione?
The canonical SMILES for 8-benzhydryl-4-hydroxy-6-(oxan-4-yl)-1,2,7,8-tetrahydropyrazino[1,2-b]pyridazine-3,5-dione is O=C1CNN2C(=C1O)C(=O)N(C1CCOCC1)CC2C(c1ccccc1)c1ccccc1.
What is the InChIKey of 8-benzhydryl-4-hydroxy-6-(oxan-4-yl)-1,2,7,8-tetrahydropyrazino[1,2-b]pyridazine-3,5-dione?
The InChIKey is XDINTHKFJRFXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c29-21-15-26-28-20(22(17-7-3-1-4-8-17)18-9-5-2-6-10-18)16-27(19-11-13-32-14-12-19)25(31)23(28)24(21)30/h1-10,19-20,22,26,30H,11-16H2.
What are the key properties of 8-benzhydryl-4-hydroxy-6-(oxan-4-yl)-1,2,7,8-tetrahydropyrazino[1,2-b]pyridazine-3,5-dione?
8-benzhydryl-4-hydroxy-6-(oxan-4-yl)-1,2,7,8-tetrahydropyrazino[1,2-b]pyridazine-3,5-dione has a molecular weight of 433.51 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzhydryl-4-hydroxy-6-(oxan-4-yl)-1,2,7,8-tetrahydropyrazino[1,2-b]pyridazine-3,5-dione is sourced from PubChem (CID 154977666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).