2-[6-amino-5-[[(Z)-but-2-enyl]-(2-methylpropyl)amino]pyridazin-3-yl]-6-fluorophenol

C18H23FN4O — CID 174367164

IUPAC2-[6-amino-5-[[(Z)-but-2-enyl]-(2-methylpropyl)amino]pyridazin-3-yl]-6-fluorophenol
SMILESC/C=C\CN(CC(C)C)c1cc(-c2cccc(F)c2O)nnc1N
InChIInChI=1S/C18H23FN4O/c1-4-5-9-23(11-12(2)3)16-10-15(21-22-18(16)20)13-7-6-8-14(19)17(13)24/h4-8,10,12,24H,9,11H2,1-3H3,(H2,20,22)/b5-4-
InChIKeyPRCWNIWRJIBMSM-PLNGDYQASA-N
MW330.41 g/mol
LogP3.61
Rot. Bonds6

About 2-[6-amino-5-[[(Z)-but-2-enyl]-(2-methylpropyl)amino]pyridazin-3-yl]-6-fluorophenol

2-[6-amino-5-[[(Z)-but-2-enyl]-(2-methylpropyl)amino]pyridazin-3-yl]-6-fluorophenol (PubChem CID 174367164) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[6-amino-5-[[(Z)-but-2-enyl]-(2-methylpropyl)amino]pyridazin-3-yl]-6-fluorophenol.

Molecular Properties

Compound Name2-[6-amino-5-[[(Z)-but-2-enyl]-(2-methylpropyl)amino]pyridazin-3-yl]-6-fluorophenol
PubChem CID174367164
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name2-[6-amino-5-[[(Z)-but-2-enyl]-(2-methylpropyl)amino]pyridazin-3-yl]-6-fluorophenol
SMILESC/C=C\CN(CC(C)C)c1cc(-c2cccc(F)c2O)nnc1N
InChIInChI=1S/C18H23FN4O/c1-4-5-9-23(11-12(2)3)16-10-15(21-22-18(16)20)13-7-6-8-14(19)17(13)24/h4-8,10,12,24H,9,11H2,1-3H3,(H2,20,22)/b5-4-
InChIKeyPRCWNIWRJIBMSM-PLNGDYQASA-N
XLogP3.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[[(Z)-but-2-enyl]-(2-methylpropyl)amino]pyridazin-3-yl]-6-fluorophenol?
The IUPAC name of 2-[6-amino-5-[[(Z)-but-2-enyl]-(2-methylpropyl)amino]pyridazin-3-yl]-6-fluorophenol (CID 174367164) is 2-[6-amino-5-[[(Z)-but-2-enyl]-(2-methylpropyl)amino]pyridazin-3-yl]-6-fluorophenol.
What is the SMILES notation for 2-[6-amino-5-[[(Z)-but-2-enyl]-(2-methylpropyl)amino]pyridazin-3-yl]-6-fluorophenol?
The canonical SMILES for 2-[6-amino-5-[[(Z)-but-2-enyl]-(2-methylpropyl)amino]pyridazin-3-yl]-6-fluorophenol is C/C=C\CN(CC(C)C)c1cc(-c2cccc(F)c2O)nnc1N.
What is the InChIKey of 2-[6-amino-5-[[(Z)-but-2-enyl]-(2-methylpropyl)amino]pyridazin-3-yl]-6-fluorophenol?
The InChIKey is PRCWNIWRJIBMSM-PLNGDYQASA-N. The full InChI is InChI=1S/C18H23FN4O/c1-4-5-9-23(11-12(2)3)16-10-15(21-22-18(16)20)13-7-6-8-14(19)17(13)24/h4-8,10,12,24H,9,11H2,1-3H3,(H2,20,22)/b5-4-.
What are the key properties of 2-[6-amino-5-[[(Z)-but-2-enyl]-(2-methylpropyl)amino]pyridazin-3-yl]-6-fluorophenol?
2-[6-amino-5-[[(Z)-but-2-enyl]-(2-methylpropyl)amino]pyridazin-3-yl]-6-fluorophenol has a molecular weight of 330.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[[(Z)-but-2-enyl]-(2-methylpropyl)amino]pyridazin-3-yl]-6-fluorophenol is sourced from PubChem (CID 174367164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).