4,5-diphenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine

C17H13N5 — CID 6263849

IUPAC4,5-diphenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine
SMILESNc1[nH]nc2nnc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C17H13N5/c18-16-14-13(11-7-3-1-4-8-11)15(12-9-5-2-6-10-12)19-21-17(14)22-20-16/h1-10H,(H3,18,20,21,22)
InChIKeyNPHKXSDZIKFIRU-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.27
Rot. Bonds2

About 4,5-diphenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine

4,5-diphenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine (PubChem CID 6263849) has the molecular formula C17H13N5 and a molecular weight of 287.33 g/mol. Its IUPAC name is 4,5-diphenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine.

Molecular Properties

Compound Name4,5-diphenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine
PubChem CID6263849
Molecular FormulaC17H13N5
Molecular Weight287.33 g/mol
Exact Mass287.12
IUPAC Name4,5-diphenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine
SMILESNc1[nH]nc2nnc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C17H13N5/c18-16-14-13(11-7-3-1-4-8-11)15(12-9-5-2-6-10-12)19-21-17(14)22-20-16/h1-10H,(H3,18,20,21,22)
InChIKeyNPHKXSDZIKFIRU-UHFFFAOYSA-N
XLogP3.27
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine?
The IUPAC name of 4,5-diphenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine (CID 6263849) is 4,5-diphenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine.
What is the SMILES notation for 4,5-diphenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine?
The canonical SMILES for 4,5-diphenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine is Nc1[nH]nc2nnc(-c3ccccc3)c(-c3ccccc3)c12.
What is the InChIKey of 4,5-diphenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine?
The InChIKey is NPHKXSDZIKFIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5/c18-16-14-13(11-7-3-1-4-8-11)15(12-9-5-2-6-10-12)19-21-17(14)22-20-16/h1-10H,(H3,18,20,21,22).
What are the key properties of 4,5-diphenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine?
4,5-diphenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine has a molecular weight of 287.33 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine is sourced from PubChem (CID 6263849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).