N-[(2,4-dichlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide

C12H8Cl2N4O2 — CID 947825

IUPACN-[(2,4-dichlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1Cl)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H8Cl2N4O2/c13-8-2-1-7(9(14)5-8)6-15-18-12(20)10-3-4-11(19)17-16-10/h1-6H,(H,17,19)(H,18,20)
InChIKeyKYZSUUDSAOZSRO-UHFFFAOYSA-N
MW311.13 g/mol
LogP1.84
Rot. Bonds3

About N-[(2,4-dichlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide

N-[(2,4-dichlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 947825) has the molecular formula C12H8Cl2N4O2 and a molecular weight of 311.13 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID947825
Molecular FormulaC12H8Cl2N4O2
Molecular Weight311.13 g/mol
Exact Mass310.00
IUPAC NameN-[(2,4-dichlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1Cl)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H8Cl2N4O2/c13-8-2-1-7(9(14)5-8)6-15-18-12(20)10-3-4-11(19)17-16-10/h1-6H,(H,17,19)(H,18,20)
InChIKeyKYZSUUDSAOZSRO-UHFFFAOYSA-N
XLogP1.84
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.13
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide (CID 947825) is N-[(2,4-dichlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NN=Cc1ccc(Cl)cc1Cl)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is KYZSUUDSAOZSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4O2/c13-8-2-1-7(9(14)5-8)6-15-18-12(20)10-3-4-11(19)17-16-10/h1-6H,(H,17,19)(H,18,20).
What are the key properties of N-[(2,4-dichlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(2,4-dichlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 311.13 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 947825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).