4-chloro-2-phenyl-5-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one

C18H12ClF3N4O — CID 110512565

IUPAC4-chloro-2-phenyl-5-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one
SMILESO=c1c(Cl)c(N/N=C\c2ccc(C(F)(F)F)cc2)cnn1-c1ccccc1
InChIInChI=1S/C18H12ClF3N4O/c19-16-15(11-24-26(17(16)27)14-4-2-1-3-5-14)25-23-10-12-6-8-13(9-7-12)18(20,21)22/h1-11,25H/b23-10-
InChIKeyQHNTUZLXUQVNNJ-RMORIDSASA-N
MW392.77 g/mol
LogP4.35
Rot. Bonds4

About 4-chloro-2-phenyl-5-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one

4-chloro-2-phenyl-5-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one (PubChem CID 110512565) has the molecular formula C18H12ClF3N4O and a molecular weight of 392.77 g/mol. Its IUPAC name is 4-chloro-2-phenyl-5-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-phenyl-5-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one
PubChem CID110512565
Molecular FormulaC18H12ClF3N4O
Molecular Weight392.77 g/mol
Exact Mass392.07
IUPAC Name4-chloro-2-phenyl-5-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one
SMILESO=c1c(Cl)c(N/N=C\c2ccc(C(F)(F)F)cc2)cnn1-c1ccccc1
InChIInChI=1S/C18H12ClF3N4O/c19-16-15(11-24-26(17(16)27)14-4-2-1-3-5-14)25-23-10-12-6-8-13(9-7-12)18(20,21)22/h1-11,25H/b23-10-
InChIKeyQHNTUZLXUQVNNJ-RMORIDSASA-N
XLogP4.35
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.77
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-chloro-5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 4677803
4-chloro-2-methyl-5-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one
CID 110512440
4-chloro-5-[(2E)-2-[(4-ethylphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 110337470
4-chloro-5-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 5231061
4-chloro-5-[(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 136787504
CID 72701644
CID 72701644
4-chloro-2-phenyl-5-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]pyridazin-3-one
CID 112538310
4-chloro-5-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 110339399
4-chloro-2-phenyl-5-[(2Z)-2-propylidenehydrazinyl]pyridazin-3-one
CID 6054872
4-chloro-5-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 110512710
4-chloro-5-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 136732809
4-chloro-5-[(2Z)-2-[(4-methoxy-3-propan-2-yloxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 110512592

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-5-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-phenyl-5-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one (CID 110512565) is 4-chloro-2-phenyl-5-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-phenyl-5-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-phenyl-5-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one is O=c1c(Cl)c(N/N=C\c2ccc(C(F)(F)F)cc2)cnn1-c1ccccc1.
What is the InChIKey of 4-chloro-2-phenyl-5-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one?
The InChIKey is QHNTUZLXUQVNNJ-RMORIDSASA-N. The full InChI is InChI=1S/C18H12ClF3N4O/c19-16-15(11-24-26(17(16)27)14-4-2-1-3-5-14)25-23-10-12-6-8-13(9-7-12)18(20,21)22/h1-11,25H/b23-10-.
What are the key properties of 4-chloro-2-phenyl-5-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one?
4-chloro-2-phenyl-5-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one has a molecular weight of 392.77 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-5-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one is sourced from PubChem (CID 110512565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).