5-chloro-4-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one

C11H7Cl3N4O — CID 7745615

IUPAC5-chloro-4-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N/N=C\c2c(Cl)cccc2Cl)c1Cl
InChIInChI=1S/C11H7Cl3N4O/c12-7-2-1-3-8(13)6(7)4-15-17-9-5-16-18-11(19)10(9)14/h1-5H,(H2,17,18,19)/b15-4-
InChIKeyWGSUMVYUQBCECH-TVPGTPATSA-N
MW317.56 g/mol
LogP3.18
Rot. Bonds3

About 5-chloro-4-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one

5-chloro-4-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (PubChem CID 7745615) has the molecular formula C11H7Cl3N4O and a molecular weight of 317.56 g/mol. Its IUPAC name is 5-chloro-4-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
PubChem CID7745615
Molecular FormulaC11H7Cl3N4O
Molecular Weight317.56 g/mol
Exact Mass315.97
IUPAC Name5-chloro-4-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N/N=C\c2c(Cl)cccc2Cl)c1Cl
InChIInChI=1S/C11H7Cl3N4O/c12-7-2-1-3-8(13)6(7)4-15-17-9-5-16-18-11(19)10(9)14/h1-5H,(H2,17,18,19)/b15-4-
InChIKeyWGSUMVYUQBCECH-TVPGTPATSA-N
XLogP3.18
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.56
LogP ≤ 53.18
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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Related Compounds

5-chloro-4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790382
5-chloro-4-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790362
5-bromo-4-[(2E)-2-[(2,3,6-trichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 7453676
5-chloro-4-[(2E)-2-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110340730
5-chloro-4-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790384
4-[2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one
CID 7200267
5-chloro-4-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 6247441
5-chloro-4-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790376
5-chloro-4-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110338557
5-chloro-4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one
CID 135606125
5-chloro-4-[(2E)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 135689804
5-chloro-4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 135689798

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (CID 7745615) is 5-chloro-4-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is O=c1[nH]ncc(N/N=C\c2c(Cl)cccc2Cl)c1Cl.
What is the InChIKey of 5-chloro-4-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is WGSUMVYUQBCECH-TVPGTPATSA-N. The full InChI is InChI=1S/C11H7Cl3N4O/c12-7-2-1-3-8(13)6(7)4-15-17-9-5-16-18-11(19)10(9)14/h1-5H,(H2,17,18,19)/b15-4-.
What are the key properties of 5-chloro-4-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
5-chloro-4-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 317.56 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 7745615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).