6-methyl-1-(2-nitrophenyl)-3-(2-propan-2-yliminopyridine-1-carbonyl)pyridazin-4-one

C20H19N5O4 — CID 51328061

IUPAC6-methyl-1-(2-nitrophenyl)-3-(2-propan-2-yliminopyridine-1-carbonyl)pyridazin-4-one
SMILESCc1cc(=O)c(C(=O)n2cccc/c2=N\C(C)C)nn1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H19N5O4/c1-13(2)21-18-10-6-7-11-23(18)20(27)19-17(26)12-14(3)24(22-19)15-8-4-5-9-16(15)25(28)29/h4-13H,1-3H3/b21-18+
InChIKeyFWZCEXMKRDNHDY-DYTRJAOYSA-N
MW393.40 g/mol
LogP2.25
Rot. Bonds4

About 6-methyl-1-(2-nitrophenyl)-3-(2-propan-2-yliminopyridine-1-carbonyl)pyridazin-4-one

6-methyl-1-(2-nitrophenyl)-3-(2-propan-2-yliminopyridine-1-carbonyl)pyridazin-4-one (PubChem CID 51328061) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is 6-methyl-1-(2-nitrophenyl)-3-(2-propan-2-yliminopyridine-1-carbonyl)pyridazin-4-one.

Molecular Properties

Compound Name6-methyl-1-(2-nitrophenyl)-3-(2-propan-2-yliminopyridine-1-carbonyl)pyridazin-4-one
PubChem CID51328061
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name6-methyl-1-(2-nitrophenyl)-3-(2-propan-2-yliminopyridine-1-carbonyl)pyridazin-4-one
SMILESCc1cc(=O)c(C(=O)n2cccc/c2=N\C(C)C)nn1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H19N5O4/c1-13(2)21-18-10-6-7-11-23(18)20(27)19-17(26)12-14(3)24(22-19)15-8-4-5-9-16(15)25(28)29/h4-13H,1-3H3/b21-18+
InChIKeyFWZCEXMKRDNHDY-DYTRJAOYSA-N
XLogP2.25
TPSA112.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.25
H-Bond Donors ≤ 50
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

6-methyl-N-[2-(methylamino)propyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide;hydrochloride
CID 120831378
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-6-methyl-1-(2-nitrophenyl)pyridazin-4-one
CID 119434975
6-methyl-1-(2-nitrophenyl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
CID 27447504
6-methyl-1-(2-nitrophenyl)-4-oxo-N-propylpyridazine-3-carboxamide
CID 27256280
3-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)-6-methyl-1-(2-nitrophenyl)pyridazin-4-one
CID 55370896
6-methyl-N-[3-(2-methylpropanoylamino)phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 55609823
methyl 4-[6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carbonyl]-1,4-diazepane-1-carboxylate
CID 51132446
N,6-dimethyl-N-(4-methylphenyl)-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 60622001
N-[1-(3,4-dichlorophenyl)ethyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 55372886
6-methyl-1-(2-nitrophenyl)-4-oxo-N-(3-pyrazol-1-ylpropyl)pyridazine-3-carboxamide
CID 55600147
N-[1-(2,4-dichlorophenyl)ethyl]-N,6-dimethyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 55581423
6-methyl-3-[4-(methylaminomethyl)piperidine-1-carbonyl]-1-(2-nitrophenyl)pyridazin-4-one;hydrochloride
CID 119543312

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-nitrophenyl)-3-(2-propan-2-yliminopyridine-1-carbonyl)pyridazin-4-one?
The IUPAC name of 6-methyl-1-(2-nitrophenyl)-3-(2-propan-2-yliminopyridine-1-carbonyl)pyridazin-4-one (CID 51328061) is 6-methyl-1-(2-nitrophenyl)-3-(2-propan-2-yliminopyridine-1-carbonyl)pyridazin-4-one.
What is the SMILES notation for 6-methyl-1-(2-nitrophenyl)-3-(2-propan-2-yliminopyridine-1-carbonyl)pyridazin-4-one?
The canonical SMILES for 6-methyl-1-(2-nitrophenyl)-3-(2-propan-2-yliminopyridine-1-carbonyl)pyridazin-4-one is Cc1cc(=O)c(C(=O)n2cccc/c2=N\C(C)C)nn1-c1ccccc1[N+](=O)[O-].
What is the InChIKey of 6-methyl-1-(2-nitrophenyl)-3-(2-propan-2-yliminopyridine-1-carbonyl)pyridazin-4-one?
The InChIKey is FWZCEXMKRDNHDY-DYTRJAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c1-13(2)21-18-10-6-7-11-23(18)20(27)19-17(26)12-14(3)24(22-19)15-8-4-5-9-16(15)25(28)29/h4-13H,1-3H3/b21-18+.
What are the key properties of 6-methyl-1-(2-nitrophenyl)-3-(2-propan-2-yliminopyridine-1-carbonyl)pyridazin-4-one?
6-methyl-1-(2-nitrophenyl)-3-(2-propan-2-yliminopyridine-1-carbonyl)pyridazin-4-one has a molecular weight of 393.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-nitrophenyl)-3-(2-propan-2-yliminopyridine-1-carbonyl)pyridazin-4-one is sourced from PubChem (CID 51328061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).