[(2,3-difluoro-4-methylphenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine

C14H16F2N4 — CID 107516709

IUPAC[(2,3-difluoro-4-methylphenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine
SMILESCc1cc(C(NN)c2ccc(C)c(F)c2F)c(C)nn1
InChIInChI=1S/C14H16F2N4/c1-7-4-5-10(13(16)12(7)15)14(18-17)11-6-8(2)19-20-9(11)3/h4-6,14,18H,17H2,1-3H3
InChIKeyYNQWDXVWHZNZAI-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.23
Rot. Bonds3

About [(2,3-difluoro-4-methylphenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine

[(2,3-difluoro-4-methylphenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine (PubChem CID 107516709) has the molecular formula C14H16F2N4 and a molecular weight of 278.31 g/mol. Its IUPAC name is [(2,3-difluoro-4-methylphenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2,3-difluoro-4-methylphenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine
PubChem CID107516709
Molecular FormulaC14H16F2N4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name[(2,3-difluoro-4-methylphenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine
SMILESCc1cc(C(NN)c2ccc(C)c(F)c2F)c(C)nn1
InChIInChI=1S/C14H16F2N4/c1-7-4-5-10(13(16)12(7)15)14(18-17)11-6-8(2)19-20-9(11)3/h4-6,14,18H,17H2,1-3H3
InChIKeyYNQWDXVWHZNZAI-UHFFFAOYSA-N
XLogP2.23
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 [(2,3-difluoro-4-methylphenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine?
The IUPAC name of [(2,3-difluoro-4-methylphenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine (CID 107516709) is [(2,3-difluoro-4-methylphenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine.
What is the SMILES notation for [(2,3-difluoro-4-methylphenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine?
The canonical SMILES for [(2,3-difluoro-4-methylphenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine is Cc1cc(C(NN)c2ccc(C)c(F)c2F)c(C)nn1.
What is the InChIKey of [(2,3-difluoro-4-methylphenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine?
The InChIKey is YNQWDXVWHZNZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4/c1-7-4-5-10(13(16)12(7)15)14(18-17)11-6-8(2)19-20-9(11)3/h4-6,14,18H,17H2,1-3H3.
What are the key properties of [(2,3-difluoro-4-methylphenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine?
[(2,3-difluoro-4-methylphenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine has a molecular weight of 278.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,3-difluoro-4-methylphenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine is sourced from PubChem (CID 107516709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).