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

C17H21N5O — CID 56683309

IUPAC2-(4-ethoxyphenyl)-N,N,3,4-tetramethylpyrazolo[3,4-d]pyridazin-7-amine
SMILESCCOc1ccc(-n2nc3c(N(C)C)nnc(C)c3c2C)cc1
InChIInChI=1S/C17H21N5O/c1-6-23-14-9-7-13(8-10-14)22-12(3)15-11(2)18-19-17(21(4)5)16(15)20-22/h7-10H,6H2,1-5H3
InChIKeyMFCDBQIDJOCFDS-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.90
Rot. Bonds4

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

2-(4-ethoxyphenyl)-N,N,3,4-tetramethylpyrazolo[3,4-d]pyridazin-7-amine (PubChem CID 56683309) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N,N,3,4-tetramethylpyrazolo[3,4-d]pyridazin-7-amine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N,N,3,4-tetramethylpyrazolo[3,4-d]pyridazin-7-amine
PubChem CID56683309
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name2-(4-ethoxyphenyl)-N,N,3,4-tetramethylpyrazolo[3,4-d]pyridazin-7-amine
SMILESCCOc1ccc(-n2nc3c(N(C)C)nnc(C)c3c2C)cc1
InChIInChI=1S/C17H21N5O/c1-6-23-14-9-7-13(8-10-14)22-12(3)15-11(2)18-19-17(21(4)5)16(15)20-22/h7-10H,6H2,1-5H3
InChIKeyMFCDBQIDJOCFDS-UHFFFAOYSA-N
XLogP2.90
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N,N,3,4-tetramethylpyrazolo[3,4-d]pyridazin-7-amine?
The IUPAC name of 2-(4-ethoxyphenyl)-N,N,3,4-tetramethylpyrazolo[3,4-d]pyridazin-7-amine (CID 56683309) is 2-(4-ethoxyphenyl)-N,N,3,4-tetramethylpyrazolo[3,4-d]pyridazin-7-amine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N,N,3,4-tetramethylpyrazolo[3,4-d]pyridazin-7-amine?
The canonical SMILES for 2-(4-ethoxyphenyl)-N,N,3,4-tetramethylpyrazolo[3,4-d]pyridazin-7-amine is CCOc1ccc(-n2nc3c(N(C)C)nnc(C)c3c2C)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N,N,3,4-tetramethylpyrazolo[3,4-d]pyridazin-7-amine?
The InChIKey is MFCDBQIDJOCFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-6-23-14-9-7-13(8-10-14)22-12(3)15-11(2)18-19-17(21(4)5)16(15)20-22/h7-10H,6H2,1-5H3.
What are the key properties of 2-(4-ethoxyphenyl)-N,N,3,4-tetramethylpyrazolo[3,4-d]pyridazin-7-amine?
2-(4-ethoxyphenyl)-N,N,3,4-tetramethylpyrazolo[3,4-d]pyridazin-7-amine has a molecular weight of 311.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N,N,3,4-tetramethylpyrazolo[3,4-d]pyridazin-7-amine is sourced from PubChem (CID 56683309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).