4-chloro-5-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-phenylpyridazin-3-one

C19H17ClN4O2 — CID 6382777

IUPAC4-chloro-5-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-phenylpyridazin-3-one
SMILESCOc1ccc(/C(C)=N\Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1
InChIInChI=1S/C19H17ClN4O2/c1-13(14-8-10-16(26-2)11-9-14)22-23-17-12-21-24(19(25)18(17)20)15-6-4-3-5-7-15/h3-12,23H,1-2H3/b22-13-
InChIKeyTVFQJRYLNWXVQW-XKZIYDEJSA-N
MW368.82 g/mol
LogP3.73
Rot. Bonds5

About 4-chloro-5-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-phenylpyridazin-3-one

4-chloro-5-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-phenylpyridazin-3-one (PubChem CID 6382777) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 4-chloro-5-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-phenylpyridazin-3-one
PubChem CID6382777
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name4-chloro-5-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-phenylpyridazin-3-one
SMILESCOc1ccc(/C(C)=N\Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1
InChIInChI=1S/C19H17ClN4O2/c1-13(14-8-10-16(26-2)11-9-14)22-23-17-12-21-24(19(25)18(17)20)15-6-4-3-5-7-15/h3-12,23H,1-2H3/b22-13-
InChIKeyTVFQJRYLNWXVQW-XKZIYDEJSA-N
XLogP3.73
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 5231061
4-chloro-5-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 136787509
4-chloro-5-[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 45135345
4-chloro-5-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 110339399
4-chloro-5-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 110512710
2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline
CID 84921584
4-chloro-5-[(2Z)-2-[(4-ethylphenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 110512659
4-chloro-5-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 136732809
4-chloro-5-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-2-phenylpyridazin-3-one
CID 133309689
4-chloro-2-phenyl-5-[(2Z)-2-propylidenehydrazinyl]pyridazin-3-one
CID 6054872
4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridazin-3-one
CID 110512658
4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one
CID 24998005

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-phenylpyridazin-3-one (CID 6382777) is 4-chloro-5-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-phenylpyridazin-3-one is COc1ccc(/C(C)=N\Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1.
What is the InChIKey of 4-chloro-5-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-phenylpyridazin-3-one?
The InChIKey is TVFQJRYLNWXVQW-XKZIYDEJSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-13(14-8-10-16(26-2)11-9-14)22-23-17-12-21-24(19(25)18(17)20)15-6-4-3-5-7-15/h3-12,23H,1-2H3/b22-13-.
What are the key properties of 4-chloro-5-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-phenylpyridazin-3-one?
4-chloro-5-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-phenylpyridazin-3-one has a molecular weight of 368.82 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 6382777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).