[3-[(2Z)-2-butylidenehydrazinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(4-phenylphenyl)methanone

C24H25N5O — CID 88720244

IUPAC[3-[(2Z)-2-butylidenehydrazinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(4-phenylphenyl)methanone
SMILESCCC/C=N\Nc1cc2c(nn1)CCN(C(=O)c1ccc(-c3ccccc3)cc1)C2
InChIInChI=1S/C24H25N5O/c1-2-3-14-25-27-23-16-21-17-29(15-13-22(21)26-28-23)24(30)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,14,16H,2-3,13,15,17H2,1H3,(H,27,28)/b25-14-
InChIKeyIRJLPOSMLASCKW-QFEZKATASA-N
MW399.50 g/mol
LogP4.54
Rot. Bonds6

About [3-[(2Z)-2-butylidenehydrazinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(4-phenylphenyl)methanone

[3-[(2Z)-2-butylidenehydrazinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(4-phenylphenyl)methanone (PubChem CID 88720244) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is [3-[(2Z)-2-butylidenehydrazinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[3-[(2Z)-2-butylidenehydrazinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(4-phenylphenyl)methanone
PubChem CID88720244
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name[3-[(2Z)-2-butylidenehydrazinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(4-phenylphenyl)methanone
SMILESCCC/C=N\Nc1cc2c(nn1)CCN(C(=O)c1ccc(-c3ccccc3)cc1)C2
InChIInChI=1S/C24H25N5O/c1-2-3-14-25-27-23-16-21-17-29(15-13-22(21)26-28-23)24(30)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,14,16H,2-3,13,15,17H2,1H3,(H,27,28)/b25-14-
InChIKeyIRJLPOSMLASCKW-QFEZKATASA-N
XLogP4.54
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.54
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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Frequently Asked Questions

What is the IUPAC name of [3-[(2Z)-2-butylidenehydrazinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [3-[(2Z)-2-butylidenehydrazinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(4-phenylphenyl)methanone (CID 88720244) is [3-[(2Z)-2-butylidenehydrazinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [3-[(2Z)-2-butylidenehydrazinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [3-[(2Z)-2-butylidenehydrazinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(4-phenylphenyl)methanone is CCC/C=N\Nc1cc2c(nn1)CCN(C(=O)c1ccc(-c3ccccc3)cc1)C2.
What is the InChIKey of [3-[(2Z)-2-butylidenehydrazinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(4-phenylphenyl)methanone?
The InChIKey is IRJLPOSMLASCKW-QFEZKATASA-N. The full InChI is InChI=1S/C24H25N5O/c1-2-3-14-25-27-23-16-21-17-29(15-13-22(21)26-28-23)24(30)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,14,16H,2-3,13,15,17H2,1H3,(H,27,28)/b25-14-.
What are the key properties of [3-[(2Z)-2-butylidenehydrazinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(4-phenylphenyl)methanone?
[3-[(2Z)-2-butylidenehydrazinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(4-phenylphenyl)methanone has a molecular weight of 399.50 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2Z)-2-butylidenehydrazinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 88720244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).