3-amino-5-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one

C17H13N5O2 — CID 10381263

IUPAC3-amino-5-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESNc1n[nH]c2cc(=O)n(-c3ccc(Oc4ccccc4)cc3)nc12
InChIInChI=1S/C17H13N5O2/c18-17-16-14(19-20-17)10-15(23)22(21-16)11-6-8-13(9-7-11)24-12-4-2-1-3-5-12/h1-10,19H,(H2,18,20)
InChIKeyRHVZRTRJEOZQMC-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.48
Rot. Bonds3

About 3-amino-5-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one

3-amino-5-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 10381263) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 3-amino-5-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name3-amino-5-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
PubChem CID10381263
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name3-amino-5-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESNc1n[nH]c2cc(=O)n(-c3ccc(Oc4ccccc4)cc3)nc12
InChIInChI=1S/C17H13N5O2/c18-17-16-14(19-20-17)10-15(23)22(21-16)11-6-8-13(9-7-11)24-12-4-2-1-3-5-12/h1-10,19H,(H2,18,20)
InChIKeyRHVZRTRJEOZQMC-UHFFFAOYSA-N
XLogP2.48
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 3-amino-5-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one (CID 10381263) is 3-amino-5-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one.
What is the SMILES notation for 3-amino-5-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 3-amino-5-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one is Nc1n[nH]c2cc(=O)n(-c3ccc(Oc4ccccc4)cc3)nc12.
What is the InChIKey of 3-amino-5-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is RHVZRTRJEOZQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c18-17-16-14(19-20-17)10-15(23)22(21-16)11-6-8-13(9-7-11)24-12-4-2-1-3-5-12/h1-10,19H,(H2,18,20).
What are the key properties of 3-amino-5-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
3-amino-5-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 319.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 10381263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).