6-(4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine

C18H22N4O — CID 10380703

IUPAC6-(4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NC)c3c2C)cc1
InChIInChI=1S/C18H22N4O/c1-6-23-15-9-7-14(8-10-15)22-12(3)16-11(2)20-21-18(19-5)17(16)13(22)4/h7-10H,6H2,1-5H3,(H,19,21)
InChIKeyFASKULMRUUGIHB-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.79
Rot. Bonds4

About 6-(4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine

6-(4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 10380703) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine
PubChem CID10380703
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name6-(4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NC)c3c2C)cc1
InChIInChI=1S/C18H22N4O/c1-6-23-15-9-7-14(8-10-15)22-12(3)16-11(2)20-21-18(19-5)17(16)13(22)4/h7-10H,6H2,1-5H3,(H,19,21)
InChIKeyFASKULMRUUGIHB-UHFFFAOYSA-N
XLogP3.79
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine?
The IUPAC name of 6-(4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine (CID 10380703) is 6-(4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine?
The canonical SMILES for 6-(4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(NC)c3c2C)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine?
The InChIKey is FASKULMRUUGIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-6-23-15-9-7-14(8-10-15)22-12(3)16-11(2)20-21-18(19-5)17(16)13(22)4/h7-10H,6H2,1-5H3,(H,19,21).
What are the key properties of 6-(4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine?
6-(4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 310.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 10380703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).