(3Z)-3-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]butan-2-one

C22H22N4O2 — CID 42631799

IUPAC(3Z)-3-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]butan-2-one
SMILESCOc1ccccc1Cc1cc(-c2ccccc2)nnc1N/N=C(/C)C(C)=O
InChIInChI=1S/C22H22N4O2/c1-15(16(2)27)23-25-22-19(13-18-11-7-8-12-21(18)28-3)14-20(24-26-22)17-9-5-4-6-10-17/h4-12,14H,13H2,1-3H3,(H,25,26)/b23-15-
InChIKeyYCVZSQNWIOOVAF-HAHDFKILSA-N
MW374.44 g/mol
LogP4.12
Rot. Bonds7

About (3Z)-3-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]butan-2-one

(3Z)-3-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]butan-2-one (PubChem CID 42631799) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is (3Z)-3-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]butan-2-one.

Molecular Properties

Compound Name(3Z)-3-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]butan-2-one
PubChem CID42631799
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name(3Z)-3-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]butan-2-one
SMILESCOc1ccccc1Cc1cc(-c2ccccc2)nnc1N/N=C(/C)C(C)=O
InChIInChI=1S/C22H22N4O2/c1-15(16(2)27)23-25-22-19(13-18-11-7-8-12-21(18)28-3)14-20(24-26-22)17-9-5-4-6-10-17/h4-12,14H,13H2,1-3H3,(H,25,26)/b23-15-
InChIKeyYCVZSQNWIOOVAF-HAHDFKILSA-N
XLogP4.12
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(6E)-2,3,4,5-tetraacetyloxy-6-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexyl] acetate
CID 45272912
3-methoxy-4-[2-[2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]methyl]phenoxy]ethoxy]benzaldehyde
CID 42632627
(2R,3R,4R,5S,6E)-6-[[6-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol
CID 42630942
2-[(2-methoxyphenyl)methyl]-1-(6-phenyl-2-pyridinyl)guanidine
CID 67532251
N-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 1257051
2-(3,4-dimethoxyphenyl)-N-(6-phenyl-3-pyridinyl)acetamide
CID 110634746
3-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 175807112
N-[(2-methoxyphenyl)methyl]-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936649
1-methoxy-2-[(4-phenylphenyl)methyl]benzene
CID 174370208
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 27757163
(Z)-4-(2-methoxyphenyl)-3-methylbut-2-enoic acid
CID 97301486
4-methoxy-N'-(4-methyl-6-phenylpyridazin-3-yl)benzohydrazide
CID 6410483

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]butan-2-one?
The IUPAC name of (3Z)-3-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]butan-2-one (CID 42631799) is (3Z)-3-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]butan-2-one.
What is the SMILES notation for (3Z)-3-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]butan-2-one?
The canonical SMILES for (3Z)-3-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]butan-2-one is COc1ccccc1Cc1cc(-c2ccccc2)nnc1N/N=C(/C)C(C)=O.
What is the InChIKey of (3Z)-3-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]butan-2-one?
The InChIKey is YCVZSQNWIOOVAF-HAHDFKILSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15(16(2)27)23-25-22-19(13-18-11-7-8-12-21(18)28-3)14-20(24-26-22)17-9-5-4-6-10-17/h4-12,14H,13H2,1-3H3,(H,25,26)/b23-15-.
What are the key properties of (3Z)-3-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]butan-2-one?
(3Z)-3-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]butan-2-one has a molecular weight of 374.44 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]butan-2-one is sourced from PubChem (CID 42631799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).