3,4-diamino-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one

C11H10N6O — CID 13329158

IUPAC3,4-diamino-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
SMILESNc1n[nH]c(=O)c2nn(-c3ccccc3)c(N)c12
InChIInChI=1S/C11H10N6O/c12-9-7-8(11(18)15-14-9)16-17(10(7)13)6-4-2-1-3-5-6/h1-5H,13H2,(H2,12,14)(H,15,18)
InChIKeyAJTDUXKVMUZVCJ-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.27
Rot. Bonds1

About 3,4-diamino-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one

3,4-diamino-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one (PubChem CID 13329158) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is 3,4-diamino-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name3,4-diamino-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
PubChem CID13329158
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name3,4-diamino-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
SMILESNc1n[nH]c(=O)c2nn(-c3ccccc3)c(N)c12
InChIInChI=1S/C11H10N6O/c12-9-7-8(11(18)15-14-9)16-17(10(7)13)6-4-2-1-3-5-6/h1-5H,13H2,(H2,12,14)(H,15,18)
InChIKeyAJTDUXKVMUZVCJ-UHFFFAOYSA-N
XLogP0.27
TPSA115.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-phenyl-1H-pyrazolo[4,5-c]quinolin-4-one
CID 131848680
3-amino-2-(4-chlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599993
1-amino-5-ethyl-3H-pyridazino[4,5-b]indol-4-one
CID 86575799
4,5-diamino-2H-pyridazino[4,5-c]quinolin-1-one
CID 10105141
3-amino-5-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 10381263
4-(3-amino-4-oxo-5H-pyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide
CID 135599991
3-amino-2-phenyl-4H-pyrazolo[4,3-b]pyridin-5-one
CID 144934394
2-(4-ethoxyphenyl)-3,4-diphenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
CID 1234259
N-(3-amino-4-oxo-2-phenyl-5H-pyrazolo[4,3-c]quinolin-7-yl)-2-(diethylamino)acetamide
CID 136624521
4-methyl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
CID 28811486
2-(3,5-diamino-1-phenylpyrazol-4-yl)acetic acid
CID 115056344
4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
CID 135867642

Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 3,4-diamino-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one (CID 13329158) is 3,4-diamino-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 3,4-diamino-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 3,4-diamino-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one is Nc1n[nH]c(=O)c2nn(-c3ccccc3)c(N)c12.
What is the InChIKey of 3,4-diamino-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
The InChIKey is AJTDUXKVMUZVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c12-9-7-8(11(18)15-14-9)16-17(10(7)13)6-4-2-1-3-5-6/h1-5H,13H2,(H2,12,14)(H,15,18).
What are the key properties of 3,4-diamino-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
3,4-diamino-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one has a molecular weight of 242.24 g/mol, XLogP of 0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 13329158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).