2-(4-ethoxyphenyl)-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine

C16H19N5O — CID 56676650

IUPAC2-(4-ethoxyphenyl)-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine
SMILESCCOc1ccc(-n2nc3c(NC)nnc(C)c3c2C)cc1
InChIInChI=1S/C16H19N5O/c1-5-22-13-8-6-12(7-9-13)21-11(3)14-10(2)18-19-16(17-4)15(14)20-21/h6-9H,5H2,1-4H3,(H,17,19)
InChIKeyPSRVKIMUQGXDRE-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.87
Rot. Bonds4

About 2-(4-ethoxyphenyl)-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine

2-(4-ethoxyphenyl)-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine (PubChem CID 56676650) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine
PubChem CID56676650
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name2-(4-ethoxyphenyl)-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine
SMILESCCOc1ccc(-n2nc3c(NC)nnc(C)c3c2C)cc1
InChIInChI=1S/C16H19N5O/c1-5-22-13-8-6-12(7-9-13)21-11(3)14-10(2)18-19-16(17-4)15(14)20-21/h6-9H,5H2,1-4H3,(H,17,19)
InChIKeyPSRVKIMUQGXDRE-UHFFFAOYSA-N
XLogP2.87
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine?
The IUPAC name of 2-(4-ethoxyphenyl)-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine (CID 56676650) is 2-(4-ethoxyphenyl)-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine?
The canonical SMILES for 2-(4-ethoxyphenyl)-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine is CCOc1ccc(-n2nc3c(NC)nnc(C)c3c2C)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine?
The InChIKey is PSRVKIMUQGXDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-5-22-13-8-6-12(7-9-13)21-11(3)14-10(2)18-19-16(17-4)15(14)20-21/h6-9H,5H2,1-4H3,(H,17,19).
What are the key properties of 2-(4-ethoxyphenyl)-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine?
2-(4-ethoxyphenyl)-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine has a molecular weight of 297.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine is sourced from PubChem (CID 56676650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).