8-benzhydryl-3,4-dihydroxy-6-propyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one

C23H25N3O3 — CID 156512383

IUPAC8-benzhydryl-3,4-dihydroxy-6-propyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one
SMILESCCCN1CC(C(c2ccccc2)c2ccccc2)N2N=CC(O)C(O)=C2C1=O
InChIInChI=1S/C23H25N3O3/c1-2-13-25-15-18(26-21(23(25)29)22(28)19(27)14-24-26)20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14,18-20,27-28H,2,13,15H2,1H3
InChIKeyYLCHQENSIBHODK-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.87
Rot. Bonds5

About 8-benzhydryl-3,4-dihydroxy-6-propyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one

8-benzhydryl-3,4-dihydroxy-6-propyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one (PubChem CID 156512383) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 8-benzhydryl-3,4-dihydroxy-6-propyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one.

Molecular Properties

Compound Name8-benzhydryl-3,4-dihydroxy-6-propyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one
PubChem CID156512383
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name8-benzhydryl-3,4-dihydroxy-6-propyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one
SMILESCCCN1CC(C(c2ccccc2)c2ccccc2)N2N=CC(O)C(O)=C2C1=O
InChIInChI=1S/C23H25N3O3/c1-2-13-25-15-18(26-21(23(25)29)22(28)19(27)14-24-26)20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14,18-20,27-28H,2,13,15H2,1H3
InChIKeyYLCHQENSIBHODK-UHFFFAOYSA-N
XLogP2.87
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-benzhydryl-3,4-dihydroxy-6-(1,1,1-trifluoropropan-2-yl)-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one
CID 146190353
8-[(3-chlorophenyl)-(3-methylphenyl)methyl]-6-ethyl-3,4-dihydroxy-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one
CID 154977705
4-(1-phenylethyl)-1-propylpyrrolidin-2-one
CID 123830048
8-[(R)-(3-chlorophenyl)-phenylmethyl]-6-ethyl-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
CID 138525239
8-benzhydryl-4-hydroxy-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;8-[bis(3-methylphenyl)methyl]-6-ethyl-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;8-[(3-chlorophenyl)-(3-methylphenyl)methyl]-4-hydroxy-6-methyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;6-ethyl-4-hydroxy-8-[(3-methylphenyl)-phenylmethyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;8-[(4-fluorophenyl)-(4-methylphenyl)methyl]-4-hydroxy-6-methyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;4-hydroxy-6-methyl-8-[(4-methylphenyl)-phenylmethyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
CID 161361663
[(8S)-8-[bis(3-fluorophenyl)methyl]-3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl] acetate
CID 122532464
3-[(S)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]phenol
CID 129360203
4-benzhydryl-1-butylpiperidin-2-one
CID 21135971
4-hydroxy-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104592328
4-phenyl-1-propylpyrrolidin-2-one
CID 13362249
4-(2-phenylpropan-2-yl)-1-propylpyrrolidin-2-one
CID 123589001
8-benzhydryl-6-(3,3-difluoroprop-2-enyl)-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
CID 122532607

Frequently Asked Questions

What is the IUPAC name of 8-benzhydryl-3,4-dihydroxy-6-propyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one?
The IUPAC name of 8-benzhydryl-3,4-dihydroxy-6-propyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one (CID 156512383) is 8-benzhydryl-3,4-dihydroxy-6-propyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one.
What is the SMILES notation for 8-benzhydryl-3,4-dihydroxy-6-propyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one?
The canonical SMILES for 8-benzhydryl-3,4-dihydroxy-6-propyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one is CCCN1CC(C(c2ccccc2)c2ccccc2)N2N=CC(O)C(O)=C2C1=O.
What is the InChIKey of 8-benzhydryl-3,4-dihydroxy-6-propyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one?
The InChIKey is YLCHQENSIBHODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-2-13-25-15-18(26-21(23(25)29)22(28)19(27)14-24-26)20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14,18-20,27-28H,2,13,15H2,1H3.
What are the key properties of 8-benzhydryl-3,4-dihydroxy-6-propyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one?
8-benzhydryl-3,4-dihydroxy-6-propyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one has a molecular weight of 391.47 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzhydryl-3,4-dihydroxy-6-propyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one is sourced from PubChem (CID 156512383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).