(4E)-4-[(4-chlorophenyl)methylidene]-N,3-dimethyl-1H-pyridazin-6-imine

C13H14ClN3 — CID 135818453

IUPAC(4E)-4-[(4-chlorophenyl)methylidene]-N,3-dimethyl-1H-pyridazin-6-imine
SMILESC/N=C1/C/C(=C\c2ccc(Cl)cc2)C(C)=NN1
InChIInChI=1S/C13H14ClN3/c1-9-11(8-13(15-2)17-16-9)7-10-3-5-12(14)6-4-10/h3-7H,8H2,1-2H3,(H,15,17)/b11-7+
InChIKeyVWFCPGHATAQFFJ-YRNVUSSQSA-N
MW247.73 g/mol
LogP3.12
Rot. Bonds1

About (4E)-4-[(4-chlorophenyl)methylidene]-N,3-dimethyl-1H-pyridazin-6-imine

(4E)-4-[(4-chlorophenyl)methylidene]-N,3-dimethyl-1H-pyridazin-6-imine (PubChem CID 135818453) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is (4E)-4-[(4-chlorophenyl)methylidene]-N,3-dimethyl-1H-pyridazin-6-imine.

Molecular Properties

Compound Name(4E)-4-[(4-chlorophenyl)methylidene]-N,3-dimethyl-1H-pyridazin-6-imine
PubChem CID135818453
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name(4E)-4-[(4-chlorophenyl)methylidene]-N,3-dimethyl-1H-pyridazin-6-imine
SMILESC/N=C1/C/C(=C\c2ccc(Cl)cc2)C(C)=NN1
InChIInChI=1S/C13H14ClN3/c1-9-11(8-13(15-2)17-16-9)7-10-3-5-12(14)6-4-10/h3-7H,8H2,1-2H3,(H,15,17)/b11-7+
InChIKeyVWFCPGHATAQFFJ-YRNVUSSQSA-N
XLogP3.12
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-methoxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one
CID 162369806
(2E)-2,5-bis[(4-chlorophenyl)methylidene]cyclopentan-1-one
CID 694487
(3Z,5Z)-3,5-bis[(4-chlorophenyl)methylidene]-1,1-dioxothian-4-one
CID 124635641
3-[(4-chlorophenyl)methylidene]azetidine
CID 79879268
(3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]-1-methylpiperidin-4-one;hydrochloride
CID 5468195
6-chloro-3-[(4-chlorophenyl)methylidene]-1,2-dihydroindole
CID 91560014
(NZ)-N-[2-[(4-chlorophenyl)methylidene]cyclohexylidene]hydroxylamine
CID 5464792
(2Z)-2-[(4-chlorophenyl)methylidene]cyclohexan-1-one
CID 6450877
(2E)-2-[(4-chlorophenyl)methylidene]cyclooctan-1-one
CID 12682640
ethyl 2-[(3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]-4-oxocyclohexylidene]acetate
CID 11004453
(5E)-5-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135404507
2-[(4-chlorophenyl)methylidene]-4-methylcyclohexan-1-one
CID 68642658

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(4-chlorophenyl)methylidene]-N,3-dimethyl-1H-pyridazin-6-imine?
The IUPAC name of (4E)-4-[(4-chlorophenyl)methylidene]-N,3-dimethyl-1H-pyridazin-6-imine (CID 135818453) is (4E)-4-[(4-chlorophenyl)methylidene]-N,3-dimethyl-1H-pyridazin-6-imine.
What is the SMILES notation for (4E)-4-[(4-chlorophenyl)methylidene]-N,3-dimethyl-1H-pyridazin-6-imine?
The canonical SMILES for (4E)-4-[(4-chlorophenyl)methylidene]-N,3-dimethyl-1H-pyridazin-6-imine is C/N=C1/C/C(=C\c2ccc(Cl)cc2)C(C)=NN1.
What is the InChIKey of (4E)-4-[(4-chlorophenyl)methylidene]-N,3-dimethyl-1H-pyridazin-6-imine?
The InChIKey is VWFCPGHATAQFFJ-YRNVUSSQSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-9-11(8-13(15-2)17-16-9)7-10-3-5-12(14)6-4-10/h3-7H,8H2,1-2H3,(H,15,17)/b11-7+.
What are the key properties of (4E)-4-[(4-chlorophenyl)methylidene]-N,3-dimethyl-1H-pyridazin-6-imine?
(4E)-4-[(4-chlorophenyl)methylidene]-N,3-dimethyl-1H-pyridazin-6-imine has a molecular weight of 247.73 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(4-chlorophenyl)methylidene]-N,3-dimethyl-1H-pyridazin-6-imine is sourced from PubChem (CID 135818453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).