N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)pyridine-4-carbohydrazide

C16H12N6O4 — CID 134090056

IUPACN'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)pyridine-4-carbohydrazide
SMILESO=C(NNc1c([N+](=O)[O-])cnn(-c2ccccc2)c1=O)c1ccncc1
InChIInChI=1S/C16H12N6O4/c23-15(11-6-8-17-9-7-11)20-19-14-13(22(25)26)10-18-21(16(14)24)12-4-2-1-3-5-12/h1-10,19H,(H,20,23)
InChIKeyGXEBCJCXIPZFTL-UHFFFAOYSA-N
MW352.31 g/mol
LogP1.29
Rot. Bonds5

About N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)pyridine-4-carbohydrazide

N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)pyridine-4-carbohydrazide (PubChem CID 134090056) has the molecular formula C16H12N6O4 and a molecular weight of 352.31 g/mol. Its IUPAC name is N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)pyridine-4-carbohydrazide
PubChem CID134090056
Molecular FormulaC16H12N6O4
Molecular Weight352.31 g/mol
Exact Mass352.09
IUPAC NameN'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)pyridine-4-carbohydrazide
SMILESO=C(NNc1c([N+](=O)[O-])cnn(-c2ccccc2)c1=O)c1ccncc1
InChIInChI=1S/C16H12N6O4/c23-15(11-6-8-17-9-7-11)20-19-14-13(22(25)26)10-18-21(16(14)24)12-4-2-1-3-5-12/h1-10,19H,(H,20,23)
InChIKeyGXEBCJCXIPZFTL-UHFFFAOYSA-N
XLogP1.29
TPSA132.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)benzenesulfonohydrazide
CID 134090030
5-chloro-4-nitro-1-phenylpyrazole
CID 105481380
N-(5-methyl-1-phenylpyrazol-4-yl)pyridine-4-carboxamide
CID 11242907
N'-(4-nitrophenyl)pyridine-4-carbohydrazide
CID 21205889
2-nitro-6-[(pyridine-4-carbonylamino)carbamoyl]benzoic acid
CID 155548673
N'-(2-nitrophenyl)benzohydrazide
CID 3718054
N'-(1-methyl-4-nitropyrazol-3-yl)benzohydrazide
CID 3958331
N-benzoyl-3-nitropyridine-4-carboxamide
CID 21405313
N'-(2-nitro-3-pyridinyl)benzohydrazide
CID 14387403
N-(1,4-diphenylpyrazol-5-yl)-4-nitrobenzamide
CID 11523834
4-chloro-5-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26664163
N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22530692

Frequently Asked Questions

What is the IUPAC name of N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)pyridine-4-carbohydrazide?
The IUPAC name of N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)pyridine-4-carbohydrazide (CID 134090056) is N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)pyridine-4-carbohydrazide?
The canonical SMILES for N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)pyridine-4-carbohydrazide is O=C(NNc1c([N+](=O)[O-])cnn(-c2ccccc2)c1=O)c1ccncc1.
What is the InChIKey of N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)pyridine-4-carbohydrazide?
The InChIKey is GXEBCJCXIPZFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O4/c23-15(11-6-8-17-9-7-11)20-19-14-13(22(25)26)10-18-21(16(14)24)12-4-2-1-3-5-12/h1-10,19H,(H,20,23).
What are the key properties of N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)pyridine-4-carbohydrazide?
N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)pyridine-4-carbohydrazide has a molecular weight of 352.31 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)pyridine-4-carbohydrazide is sourced from PubChem (CID 134090056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).