5-hydroxy-2-methyl-4-nitro-6-(4-nitrophenyl)pyridazin-3-one

C11H8N4O6 — CID 110273027

IUPAC5-hydroxy-2-methyl-4-nitro-6-(4-nitrophenyl)pyridazin-3-one
SMILESCn1nc(-c2ccc([N+](=O)[O-])cc2)c(O)c([N+](=O)[O-])c1=O
InChIInChI=1S/C11H8N4O6/c1-13-11(17)9(15(20)21)10(16)8(12-13)6-2-4-7(5-3-6)14(18)19/h2-5,16H,1H3
InChIKeyDZQFQDMDXNSDKL-UHFFFAOYSA-N
MW292.21 g/mol
LogP0.97
Rot. Bonds3

About 5-hydroxy-2-methyl-4-nitro-6-(4-nitrophenyl)pyridazin-3-one

5-hydroxy-2-methyl-4-nitro-6-(4-nitrophenyl)pyridazin-3-one (PubChem CID 110273027) has the molecular formula C11H8N4O6 and a molecular weight of 292.21 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-4-nitro-6-(4-nitrophenyl)pyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-2-methyl-4-nitro-6-(4-nitrophenyl)pyridazin-3-one
PubChem CID110273027
Molecular FormulaC11H8N4O6
Molecular Weight292.21 g/mol
Exact Mass292.04
IUPAC Name5-hydroxy-2-methyl-4-nitro-6-(4-nitrophenyl)pyridazin-3-one
SMILESCn1nc(-c2ccc([N+](=O)[O-])cc2)c(O)c([N+](=O)[O-])c1=O
InChIInChI=1S/C11H8N4O6/c1-13-11(17)9(15(20)21)10(16)8(12-13)6-2-4-7(5-3-6)14(18)19/h2-5,16H,1H3
InChIKeyDZQFQDMDXNSDKL-UHFFFAOYSA-N
XLogP0.97
TPSA141.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
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

2-methyl-4-(4-nitrophenyl)phthalazin-1-one
CID 19957132
5-methyl-3-(4-nitrophenyl)-1-phenylpyrazol-4-ol
CID 15026182
5-(4-tert-butylphenyl)-4-chloro-1-methyl-3-(4-nitrophenyl)pyrazole
CID 53235874
5-hydroxy-2-methyl-4,6-diphenylpyridazin-3-one
CID 54677994
4-hydroxy-1-methyl-3-nitro-6-phenylquinolin-2-one
CID 54696302
N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-4-nitrobenzamide
CID 1422228
3-hydroxy-4-(4-nitrophenyl)cyclobut-3-ene-1,2-dione
CID 10466000
4-acetyl-6-(4-nitrophenyl)-2-propylpyridazin-3-one
CID 82446951
5-chloro-1,3-dimethyl-4-(4-nitrophenyl)pyrazole
CID 71501870
2,5-dimethyl-4-(4-nitrophenyl)-1,3-thiazole
CID 67621456
4-amino-6-(4-nitrophenyl)-2-propylpyridazin-3-one
CID 82467572
3-hydroxy-4-methoxy-1-methyl-7-nitroquinolin-2-one
CID 23300518

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-4-nitro-6-(4-nitrophenyl)pyridazin-3-one?
The IUPAC name of 5-hydroxy-2-methyl-4-nitro-6-(4-nitrophenyl)pyridazin-3-one (CID 110273027) is 5-hydroxy-2-methyl-4-nitro-6-(4-nitrophenyl)pyridazin-3-one.
What is the SMILES notation for 5-hydroxy-2-methyl-4-nitro-6-(4-nitrophenyl)pyridazin-3-one?
The canonical SMILES for 5-hydroxy-2-methyl-4-nitro-6-(4-nitrophenyl)pyridazin-3-one is Cn1nc(-c2ccc([N+](=O)[O-])cc2)c(O)c([N+](=O)[O-])c1=O.
What is the InChIKey of 5-hydroxy-2-methyl-4-nitro-6-(4-nitrophenyl)pyridazin-3-one?
The InChIKey is DZQFQDMDXNSDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O6/c1-13-11(17)9(15(20)21)10(16)8(12-13)6-2-4-7(5-3-6)14(18)19/h2-5,16H,1H3.
What are the key properties of 5-hydroxy-2-methyl-4-nitro-6-(4-nitrophenyl)pyridazin-3-one?
5-hydroxy-2-methyl-4-nitro-6-(4-nitrophenyl)pyridazin-3-one has a molecular weight of 292.21 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-4-nitro-6-(4-nitrophenyl)pyridazin-3-one is sourced from PubChem (CID 110273027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).