4-methoxy-N'-(4-methyl-6-phenylpyridazin-3-yl)benzohydrazide

C19H18N4O2 — CID 6410483

IUPAC4-methoxy-N'-(4-methyl-6-phenylpyridazin-3-yl)benzohydrazide
SMILESCOc1ccc(C(=O)NNc2nnc(-c3ccccc3)cc2C)cc1
InChIInChI=1S/C19H18N4O2/c1-13-12-17(14-6-4-3-5-7-14)20-21-18(13)22-23-19(24)15-8-10-16(25-2)11-9-15/h3-12H,1-2H3,(H,21,22)(H,23,24)
InChIKeySJRTXSJGAQFCMK-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.22
Rot. Bonds5

About 4-methoxy-N'-(4-methyl-6-phenylpyridazin-3-yl)benzohydrazide

4-methoxy-N'-(4-methyl-6-phenylpyridazin-3-yl)benzohydrazide (PubChem CID 6410483) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-methoxy-N'-(4-methyl-6-phenylpyridazin-3-yl)benzohydrazide.

Molecular Properties

Compound Name4-methoxy-N'-(4-methyl-6-phenylpyridazin-3-yl)benzohydrazide
PubChem CID6410483
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name4-methoxy-N'-(4-methyl-6-phenylpyridazin-3-yl)benzohydrazide
SMILESCOc1ccc(C(=O)NNc2nnc(-c3ccccc3)cc2C)cc1
InChIInChI=1S/C19H18N4O2/c1-13-12-17(14-6-4-3-5-7-14)20-21-18(13)22-23-19(24)15-8-10-16(25-2)11-9-15/h3-12H,1-2H3,(H,21,22)(H,23,24)
InChIKeySJRTXSJGAQFCMK-UHFFFAOYSA-N
XLogP3.22
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-(4-methyl-6-phenylpyridazin-3-yl)benzohydrazide?
The IUPAC name of 4-methoxy-N'-(4-methyl-6-phenylpyridazin-3-yl)benzohydrazide (CID 6410483) is 4-methoxy-N'-(4-methyl-6-phenylpyridazin-3-yl)benzohydrazide.
What is the SMILES notation for 4-methoxy-N'-(4-methyl-6-phenylpyridazin-3-yl)benzohydrazide?
The canonical SMILES for 4-methoxy-N'-(4-methyl-6-phenylpyridazin-3-yl)benzohydrazide is COc1ccc(C(=O)NNc2nnc(-c3ccccc3)cc2C)cc1.
What is the InChIKey of 4-methoxy-N'-(4-methyl-6-phenylpyridazin-3-yl)benzohydrazide?
The InChIKey is SJRTXSJGAQFCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-12-17(14-6-4-3-5-7-14)20-21-18(13)22-23-19(24)15-8-10-16(25-2)11-9-15/h3-12H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 4-methoxy-N'-(4-methyl-6-phenylpyridazin-3-yl)benzohydrazide?
4-methoxy-N'-(4-methyl-6-phenylpyridazin-3-yl)benzohydrazide has a molecular weight of 334.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-(4-methyl-6-phenylpyridazin-3-yl)benzohydrazide is sourced from PubChem (CID 6410483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).