3-methyl-4-(4-nitrophenyl)-1H-pyridazin-6-one

C11H9N3O3 — CID 10489682

IUPAC3-methyl-4-(4-nitrophenyl)-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)cc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H9N3O3/c1-7-10(6-11(15)13-12-7)8-2-4-9(5-3-8)14(16)17/h2-6H,1H3,(H,13,15)
InChIKeySELWMWRSQYVCBL-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.65
Rot. Bonds2

About 3-methyl-4-(4-nitrophenyl)-1H-pyridazin-6-one

3-methyl-4-(4-nitrophenyl)-1H-pyridazin-6-one (PubChem CID 10489682) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 3-methyl-4-(4-nitrophenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-methyl-4-(4-nitrophenyl)-1H-pyridazin-6-one
PubChem CID10489682
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name3-methyl-4-(4-nitrophenyl)-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)cc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H9N3O3/c1-7-10(6-11(15)13-12-7)8-2-4-9(5-3-8)14(16)17/h2-6H,1H3,(H,13,15)
InChIKeySELWMWRSQYVCBL-UHFFFAOYSA-N
XLogP1.65
TPSA88.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-(4-nitrophenyl)-1H-pyridazin-6-one
CID 10921934
5-methyl-3-(4-nitrophenyl)-1H-pyrazole;hydrochloride
CID 121230197
3-(4-nitrophenyl)-1H-1,2,4-triazin-6-one
CID 70248032
4-(4-nitrophenyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one
CID 141335946
3-ethyl-4-(3-nitrophenyl)-1H-pyridazin-6-one
CID 142714776
3-(3-methylphenyl)-5-(4-nitrophenyl)-1H-1,2,4-triazole
CID 43826555
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
3-(4-methylphenyl)-5-(4-nitrophenyl)-1H-1,2,4-triazole
CID 135461909
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
3-(4-nitrophenyl)-6-oxo-1H-pyridazine-5-carbonitrile
CID 82446450
3,4-bis(4-nitrophenyl)-1H-1,2,4-triazol-5-one
CID 58533287
3-(3-nitrophenyl)-5-(4-nitrophenyl)-1H-pyrazole
CID 2179703

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-nitrophenyl)-1H-pyridazin-6-one?
The IUPAC name of 3-methyl-4-(4-nitrophenyl)-1H-pyridazin-6-one (CID 10489682) is 3-methyl-4-(4-nitrophenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-methyl-4-(4-nitrophenyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-methyl-4-(4-nitrophenyl)-1H-pyridazin-6-one is Cc1n[nH]c(=O)cc1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-methyl-4-(4-nitrophenyl)-1H-pyridazin-6-one?
The InChIKey is SELWMWRSQYVCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c1-7-10(6-11(15)13-12-7)8-2-4-9(5-3-8)14(16)17/h2-6H,1H3,(H,13,15).
What are the key properties of 3-methyl-4-(4-nitrophenyl)-1H-pyridazin-6-one?
3-methyl-4-(4-nitrophenyl)-1H-pyridazin-6-one has a molecular weight of 231.21 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-nitrophenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 10489682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).