8-[(3-chlorophenyl)-(3-methylphenyl)methyl]-6-ethyl-3,4-dihydroxy-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one

C23H24ClN3O3 — CID 154977705

IUPAC8-[(3-chlorophenyl)-(3-methylphenyl)methyl]-6-ethyl-3,4-dihydroxy-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one
SMILESCCN1CC(C(c2cccc(C)c2)c2cccc(Cl)c2)N2N=CC(O)C(O)=C2C1=O
InChIInChI=1S/C23H24ClN3O3/c1-3-26-13-18(27-21(23(26)30)22(29)19(28)12-25-27)20(15-7-4-6-14(2)10-15)16-8-5-9-17(24)11-16/h4-12,18-20,28-29H,3,13H2,1-2H3
InChIKeyDEWIKXVSPKIXBW-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.44
Rot. Bonds4

About 8-[(3-chlorophenyl)-(3-methylphenyl)methyl]-6-ethyl-3,4-dihydroxy-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one

8-[(3-chlorophenyl)-(3-methylphenyl)methyl]-6-ethyl-3,4-dihydroxy-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one (PubChem CID 154977705) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 8-[(3-chlorophenyl)-(3-methylphenyl)methyl]-6-ethyl-3,4-dihydroxy-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one.

Molecular Properties

Compound Name8-[(3-chlorophenyl)-(3-methylphenyl)methyl]-6-ethyl-3,4-dihydroxy-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one
PubChem CID154977705
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name8-[(3-chlorophenyl)-(3-methylphenyl)methyl]-6-ethyl-3,4-dihydroxy-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one
SMILESCCN1CC(C(c2cccc(C)c2)c2cccc(Cl)c2)N2N=CC(O)C(O)=C2C1=O
InChIInChI=1S/C23H24ClN3O3/c1-3-26-13-18(27-21(23(26)30)22(29)19(28)12-25-27)20(15-7-4-6-14(2)10-15)16-8-5-9-17(24)11-16/h4-12,18-20,28-29H,3,13H2,1-2H3
InChIKeyDEWIKXVSPKIXBW-UHFFFAOYSA-N
XLogP3.44
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
(3E)-5-[bis(3-chlorophenyl)methyl]-3-(1-hydroxy-2-oxopropylidene)-1-methyl-4-(methylideneamino)piperazin-2-one
CID 156512363
8-[bis(3-chlorophenyl)methyl]-13-hydroxy-3,6,9,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraen-12-one
CID 137174643
1-[(3-chlorophenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4254480
4-(chloromethyl)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 168506584
4-tert-butyl-1-[2-hydroxy-2-(3-methylphenyl)ethyl]pyrrolidin-2-one
CID 104512641
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3,3-diethylpyrrolidine-2,5-dione
CID 111476517
(5R)-5-(3-chlorophenyl)-3-ethyl-1,3-oxazolidin-2-one
CID 70899680
1-[2-amino-1-(3-methylphenyl)butyl]pyrrolidine-3,4-diol
CID 106667892
1-[1-(3-chlorophenyl)ethyl]-3-pentan-2-ylurea
CID 42952666
4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80784552

Frequently Asked Questions

What is the IUPAC name of 8-[(3-chlorophenyl)-(3-methylphenyl)methyl]-6-ethyl-3,4-dihydroxy-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one?
The IUPAC name of 8-[(3-chlorophenyl)-(3-methylphenyl)methyl]-6-ethyl-3,4-dihydroxy-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one (CID 154977705) is 8-[(3-chlorophenyl)-(3-methylphenyl)methyl]-6-ethyl-3,4-dihydroxy-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one.
What is the SMILES notation for 8-[(3-chlorophenyl)-(3-methylphenyl)methyl]-6-ethyl-3,4-dihydroxy-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one?
The canonical SMILES for 8-[(3-chlorophenyl)-(3-methylphenyl)methyl]-6-ethyl-3,4-dihydroxy-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one is CCN1CC(C(c2cccc(C)c2)c2cccc(Cl)c2)N2N=CC(O)C(O)=C2C1=O.
What is the InChIKey of 8-[(3-chlorophenyl)-(3-methylphenyl)methyl]-6-ethyl-3,4-dihydroxy-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one?
The InChIKey is DEWIKXVSPKIXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-3-26-13-18(27-21(23(26)30)22(29)19(28)12-25-27)20(15-7-4-6-14(2)10-15)16-8-5-9-17(24)11-16/h4-12,18-20,28-29H,3,13H2,1-2H3.
What are the key properties of 8-[(3-chlorophenyl)-(3-methylphenyl)methyl]-6-ethyl-3,4-dihydroxy-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one?
8-[(3-chlorophenyl)-(3-methylphenyl)methyl]-6-ethyl-3,4-dihydroxy-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one has a molecular weight of 425.92 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-chlorophenyl)-(3-methylphenyl)methyl]-6-ethyl-3,4-dihydroxy-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one is sourced from PubChem (CID 154977705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).