1-benzyl-4,5-diphenylpyrazolo[3,4-c]pyridazin-3-amine

C24H19N5 — CID 6538891

IUPAC1-benzyl-4,5-diphenylpyrazolo[3,4-c]pyridazin-3-amine
SMILESNc1nn(Cc2ccccc2)c2nnc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C24H19N5/c25-23-21-20(18-12-6-2-7-13-18)22(19-14-8-3-9-15-19)26-27-24(21)29(28-23)16-17-10-4-1-5-11-17/h1-15H,16H2,(H2,25,28)
InChIKeyRSXBXHUMUOJHGZ-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.79
Rot. Bonds4

About 1-benzyl-4,5-diphenylpyrazolo[3,4-c]pyridazin-3-amine

1-benzyl-4,5-diphenylpyrazolo[3,4-c]pyridazin-3-amine (PubChem CID 6538891) has the molecular formula C24H19N5 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-benzyl-4,5-diphenylpyrazolo[3,4-c]pyridazin-3-amine.

Molecular Properties

Compound Name1-benzyl-4,5-diphenylpyrazolo[3,4-c]pyridazin-3-amine
PubChem CID6538891
Molecular FormulaC24H19N5
Molecular Weight377.45 g/mol
Exact Mass377.16
IUPAC Name1-benzyl-4,5-diphenylpyrazolo[3,4-c]pyridazin-3-amine
SMILESNc1nn(Cc2ccccc2)c2nnc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C24H19N5/c25-23-21-20(18-12-6-2-7-13-18)22(19-14-8-3-9-15-19)26-27-24(21)29(28-23)16-17-10-4-1-5-11-17/h1-15H,16H2,(H2,25,28)
InChIKeyRSXBXHUMUOJHGZ-UHFFFAOYSA-N
XLogP4.79
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,5-diphenylpyrazolo[3,4-c]pyridazin-3-amine?
The IUPAC name of 1-benzyl-4,5-diphenylpyrazolo[3,4-c]pyridazin-3-amine (CID 6538891) is 1-benzyl-4,5-diphenylpyrazolo[3,4-c]pyridazin-3-amine.
What is the SMILES notation for 1-benzyl-4,5-diphenylpyrazolo[3,4-c]pyridazin-3-amine?
The canonical SMILES for 1-benzyl-4,5-diphenylpyrazolo[3,4-c]pyridazin-3-amine is Nc1nn(Cc2ccccc2)c2nnc(-c3ccccc3)c(-c3ccccc3)c12.
What is the InChIKey of 1-benzyl-4,5-diphenylpyrazolo[3,4-c]pyridazin-3-amine?
The InChIKey is RSXBXHUMUOJHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5/c25-23-21-20(18-12-6-2-7-13-18)22(19-14-8-3-9-15-19)26-27-24(21)29(28-23)16-17-10-4-1-5-11-17/h1-15H,16H2,(H2,25,28).
What are the key properties of 1-benzyl-4,5-diphenylpyrazolo[3,4-c]pyridazin-3-amine?
1-benzyl-4,5-diphenylpyrazolo[3,4-c]pyridazin-3-amine has a molecular weight of 377.45 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,5-diphenylpyrazolo[3,4-c]pyridazin-3-amine is sourced from PubChem (CID 6538891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).