6-(4-amino-3-ethenylphenyl)-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine

C21H22FN5 — CID 139323717

IUPAC6-(4-amino-3-ethenylphenyl)-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine
SMILESC=Cc1cc(-c2ccc(NCC(C)(C)c3ncccc3F)nn2)ccc1N
InChIInChI=1S/C21H22FN5/c1-4-14-12-15(7-8-17(14)23)18-9-10-19(27-26-18)25-13-21(2,3)20-16(22)6-5-11-24-20/h4-12H,1,13,23H2,2-3H3,(H,25,27)
InChIKeyHGKJDMJFMVCKFN-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.29
Rot. Bonds6

About 6-(4-amino-3-ethenylphenyl)-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine

6-(4-amino-3-ethenylphenyl)-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine (PubChem CID 139323717) has the molecular formula C21H22FN5 and a molecular weight of 363.44 g/mol. Its IUPAC name is 6-(4-amino-3-ethenylphenyl)-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(4-amino-3-ethenylphenyl)-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine
PubChem CID139323717
Molecular FormulaC21H22FN5
Molecular Weight363.44 g/mol
Exact Mass363.19
IUPAC Name6-(4-amino-3-ethenylphenyl)-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine
SMILESC=Cc1cc(-c2ccc(NCC(C)(C)c3ncccc3F)nn2)ccc1N
InChIInChI=1S/C21H22FN5/c1-4-14-12-15(7-8-17(14)23)18-9-10-19(27-26-18)25-13-21(2,3)20-16(22)6-5-11-24-20/h4-12H,1,13,23H2,2-3H3,(H,25,27)
InChIKeyHGKJDMJFMVCKFN-UHFFFAOYSA-N
XLogP4.29
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-(4-amino-3-ethenylphenyl)-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-3-ethenylphenyl)-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine?
The IUPAC name of 6-(4-amino-3-ethenylphenyl)-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine (CID 139323717) is 6-(4-amino-3-ethenylphenyl)-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine.
What is the SMILES notation for 6-(4-amino-3-ethenylphenyl)-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine?
The canonical SMILES for 6-(4-amino-3-ethenylphenyl)-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine is C=Cc1cc(-c2ccc(NCC(C)(C)c3ncccc3F)nn2)ccc1N.
What is the InChIKey of 6-(4-amino-3-ethenylphenyl)-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine?
The InChIKey is HGKJDMJFMVCKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5/c1-4-14-12-15(7-8-17(14)23)18-9-10-19(27-26-18)25-13-21(2,3)20-16(22)6-5-11-24-20/h4-12H,1,13,23H2,2-3H3,(H,25,27).
What are the key properties of 6-(4-amino-3-ethenylphenyl)-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine?
6-(4-amino-3-ethenylphenyl)-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine has a molecular weight of 363.44 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-3-ethenylphenyl)-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine is sourced from PubChem (CID 139323717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).