6-(4-methoxyphenyl)-8H-pyrido[3,4-d]pyridazine-5,7-dione

C14H11N3O3 — CID 23597420

IUPAC6-(4-methoxyphenyl)-8H-pyrido[3,4-d]pyridazine-5,7-dione
SMILESCOc1ccc(N2C(=O)Cc3cnncc3C2=O)cc1
InChIInChI=1S/C14H11N3O3/c1-20-11-4-2-10(3-5-11)17-13(18)6-9-7-15-16-8-12(9)14(17)19/h2-5,7-8H,6H2,1H3
InChIKeyDAELQGVYPBMGKS-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.21
Rot. Bonds2

About 6-(4-methoxyphenyl)-8H-pyrido[3,4-d]pyridazine-5,7-dione

6-(4-methoxyphenyl)-8H-pyrido[3,4-d]pyridazine-5,7-dione (PubChem CID 23597420) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-8H-pyrido[3,4-d]pyridazine-5,7-dione.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-8H-pyrido[3,4-d]pyridazine-5,7-dione
PubChem CID23597420
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name6-(4-methoxyphenyl)-8H-pyrido[3,4-d]pyridazine-5,7-dione
SMILESCOc1ccc(N2C(=O)Cc3cnncc3C2=O)cc1
InChIInChI=1S/C14H11N3O3/c1-20-11-4-2-10(3-5-11)17-13(18)6-9-7-15-16-8-12(9)14(17)19/h2-5,7-8H,6H2,1H3
InChIKeyDAELQGVYPBMGKS-UHFFFAOYSA-N
XLogP1.21
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-8H-pyrido[3,4-d]pyridazine-5,7-dione?
The IUPAC name of 6-(4-methoxyphenyl)-8H-pyrido[3,4-d]pyridazine-5,7-dione (CID 23597420) is 6-(4-methoxyphenyl)-8H-pyrido[3,4-d]pyridazine-5,7-dione.
What is the SMILES notation for 6-(4-methoxyphenyl)-8H-pyrido[3,4-d]pyridazine-5,7-dione?
The canonical SMILES for 6-(4-methoxyphenyl)-8H-pyrido[3,4-d]pyridazine-5,7-dione is COc1ccc(N2C(=O)Cc3cnncc3C2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-8H-pyrido[3,4-d]pyridazine-5,7-dione?
The InChIKey is DAELQGVYPBMGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-20-11-4-2-10(3-5-11)17-13(18)6-9-7-15-16-8-12(9)14(17)19/h2-5,7-8H,6H2,1H3.
What are the key properties of 6-(4-methoxyphenyl)-8H-pyrido[3,4-d]pyridazine-5,7-dione?
6-(4-methoxyphenyl)-8H-pyrido[3,4-d]pyridazine-5,7-dione has a molecular weight of 269.26 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-8H-pyrido[3,4-d]pyridazine-5,7-dione is sourced from PubChem (CID 23597420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).