N'-amino-2-pyrazolo[1,5-b]pyridazin-3-yl-6-sulfamoylbenzenecarboximidamide

C13H13N7O2S — CID 123578254

IUPACN'-amino-2-pyrazolo[1,5-b]pyridazin-3-yl-6-sulfamoylbenzenecarboximidamide
SMILESNN=C(N)c1c(-c2cnn3ncccc23)cccc1S(N)(=O)=O
InChIInChI=1S/C13H13N7O2S/c14-13(19-15)12-8(3-1-5-11(12)23(16,21)22)9-7-18-20-10(9)4-2-6-17-20/h1-7H,15H2,(H2,14,19)(H2,16,21,22)
InChIKeyNTZJTYQTNKIPDP-UHFFFAOYSA-N
MW331.36 g/mol
LogP-0.38
Rot. Bonds3

About N'-amino-2-pyrazolo[1,5-b]pyridazin-3-yl-6-sulfamoylbenzenecarboximidamide

N'-amino-2-pyrazolo[1,5-b]pyridazin-3-yl-6-sulfamoylbenzenecarboximidamide (PubChem CID 123578254) has the molecular formula C13H13N7O2S and a molecular weight of 331.36 g/mol. Its IUPAC name is N'-amino-2-pyrazolo[1,5-b]pyridazin-3-yl-6-sulfamoylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-2-pyrazolo[1,5-b]pyridazin-3-yl-6-sulfamoylbenzenecarboximidamide
PubChem CID123578254
Molecular FormulaC13H13N7O2S
Molecular Weight331.36 g/mol
Exact Mass331.09
IUPAC NameN'-amino-2-pyrazolo[1,5-b]pyridazin-3-yl-6-sulfamoylbenzenecarboximidamide
SMILESNN=C(N)c1c(-c2cnn3ncccc23)cccc1S(N)(=O)=O
InChIInChI=1S/C13H13N7O2S/c14-13(19-15)12-8(3-1-5-11(12)23(16,21)22)9-7-18-20-10(9)4-2-6-17-20/h1-7H,15H2,(H2,14,19)(H2,16,21,22)
InChIKeyNTZJTYQTNKIPDP-UHFFFAOYSA-N
XLogP-0.38
TPSA154.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-amino-N-imino-2-pyrazolo[1,5-a]pyridin-3-yl-6-sulfamoylbenzenecarboximidamide
CID 123527976
N'-amino-2-[4-[(pyrimidin-4-ylmethylamino)methyl]phenyl]-6-sulfamoylbenzenecarboximidamide
CID 144893266
(2S,3R)-2-[[4-[2-[(Z)-C-aminocarbonohydrazonoyl]-3-sulfamoylphenyl]phenyl]methylamino]-3-hydroxybutanoic acid
CID 144893555
2-(3-carbamimidoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 10389524
2-amino-3-(2-sulfamoylphenyl)benzenesulfonamide
CID 142784698
2-pyrazol-1-ylbenzenesulfonamide
CID 13489815
3-pyridazin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide
CID 134823489
2-(1-methyltetrazol-5-yl)benzenesulfonamide
CID 14179829
N-(4-methylsulfonylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 10172462
2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 175751887
2-sulfamoyl-6-(4-sulfamoylphenyl)benzenecarboximidamide
CID 144893339
3-(1,1,2,2,2-pentafluoroethyl)-2-pyrazol-1-ylbenzenesulfonamide
CID 22415506

Frequently Asked Questions

What is the IUPAC name of N'-amino-2-pyrazolo[1,5-b]pyridazin-3-yl-6-sulfamoylbenzenecarboximidamide?
The IUPAC name of N'-amino-2-pyrazolo[1,5-b]pyridazin-3-yl-6-sulfamoylbenzenecarboximidamide (CID 123578254) is N'-amino-2-pyrazolo[1,5-b]pyridazin-3-yl-6-sulfamoylbenzenecarboximidamide.
What is the SMILES notation for N'-amino-2-pyrazolo[1,5-b]pyridazin-3-yl-6-sulfamoylbenzenecarboximidamide?
The canonical SMILES for N'-amino-2-pyrazolo[1,5-b]pyridazin-3-yl-6-sulfamoylbenzenecarboximidamide is NN=C(N)c1c(-c2cnn3ncccc23)cccc1S(N)(=O)=O.
What is the InChIKey of N'-amino-2-pyrazolo[1,5-b]pyridazin-3-yl-6-sulfamoylbenzenecarboximidamide?
The InChIKey is NTZJTYQTNKIPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O2S/c14-13(19-15)12-8(3-1-5-11(12)23(16,21)22)9-7-18-20-10(9)4-2-6-17-20/h1-7H,15H2,(H2,14,19)(H2,16,21,22).
What are the key properties of N'-amino-2-pyrazolo[1,5-b]pyridazin-3-yl-6-sulfamoylbenzenecarboximidamide?
N'-amino-2-pyrazolo[1,5-b]pyridazin-3-yl-6-sulfamoylbenzenecarboximidamide has a molecular weight of 331.36 g/mol, XLogP of -0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-pyrazolo[1,5-b]pyridazin-3-yl-6-sulfamoylbenzenecarboximidamide is sourced from PubChem (CID 123578254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).