7-ethoxy-2-(3-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine

C16H18N4O2 — CID 1234295

IUPAC7-ethoxy-2-(3-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
SMILESCCOc1nnc(C)c2c(C)n(-c3cccc(OC)c3)nc12
InChIInChI=1S/C16H18N4O2/c1-5-22-16-15-14(10(2)17-18-16)11(3)20(19-15)12-7-6-8-13(9-12)21-4/h6-9H,5H2,1-4H3
InChIKeyKAXSFFGYJLIBNI-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.84
Rot. Bonds4

About 7-ethoxy-2-(3-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine

7-ethoxy-2-(3-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine (PubChem CID 1234295) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 7-ethoxy-2-(3-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name7-ethoxy-2-(3-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
PubChem CID1234295
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name7-ethoxy-2-(3-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
SMILESCCOc1nnc(C)c2c(C)n(-c3cccc(OC)c3)nc12
InChIInChI=1S/C16H18N4O2/c1-5-22-16-15-14(10(2)17-18-16)11(3)20(19-15)12-7-6-8-13(9-12)21-4/h6-9H,5H2,1-4H3
InChIKeyKAXSFFGYJLIBNI-UHFFFAOYSA-N
XLogP2.84
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-2-(3-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 7-ethoxy-2-(3-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine (CID 1234295) is 7-ethoxy-2-(3-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 7-ethoxy-2-(3-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 7-ethoxy-2-(3-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine is CCOc1nnc(C)c2c(C)n(-c3cccc(OC)c3)nc12.
What is the InChIKey of 7-ethoxy-2-(3-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The InChIKey is KAXSFFGYJLIBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-5-22-16-15-14(10(2)17-18-16)11(3)20(19-15)12-7-6-8-13(9-12)21-4/h6-9H,5H2,1-4H3.
What are the key properties of 7-ethoxy-2-(3-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
7-ethoxy-2-(3-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine has a molecular weight of 298.35 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-2-(3-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 1234295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).