1-[ethyl-[6-(4-fluorophenyl)pyridazin-3-yl]amino]-2-methylpropan-2-ol

C16H20FN3O — CID 133314515

IUPAC1-[ethyl-[6-(4-fluorophenyl)pyridazin-3-yl]amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C16H20FN3O/c1-4-20(11-16(2,3)21)15-10-9-14(18-19-15)12-5-7-13(17)8-6-12/h5-10,21H,4,11H2,1-3H3
InChIKeyUFJNTMRCSMFWNH-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.88
Rot. Bonds5

About 1-[ethyl-[6-(4-fluorophenyl)pyridazin-3-yl]amino]-2-methylpropan-2-ol

1-[ethyl-[6-(4-fluorophenyl)pyridazin-3-yl]amino]-2-methylpropan-2-ol (PubChem CID 133314515) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-[ethyl-[6-(4-fluorophenyl)pyridazin-3-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[6-(4-fluorophenyl)pyridazin-3-yl]amino]-2-methylpropan-2-ol
PubChem CID133314515
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name1-[ethyl-[6-(4-fluorophenyl)pyridazin-3-yl]amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C16H20FN3O/c1-4-20(11-16(2,3)21)15-10-9-14(18-19-15)12-5-7-13(17)8-6-12/h5-10,21H,4,11H2,1-3H3
InChIKeyUFJNTMRCSMFWNH-UHFFFAOYSA-N
XLogP2.88
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[6-(4-fluorophenyl)pyridazin-3-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[6-(4-fluorophenyl)pyridazin-3-yl]amino]-2-methylpropan-2-ol (CID 133314515) is 1-[ethyl-[6-(4-fluorophenyl)pyridazin-3-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[6-(4-fluorophenyl)pyridazin-3-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[6-(4-fluorophenyl)pyridazin-3-yl]amino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1ccc(-c2ccc(F)cc2)nn1.
What is the InChIKey of 1-[ethyl-[6-(4-fluorophenyl)pyridazin-3-yl]amino]-2-methylpropan-2-ol?
The InChIKey is UFJNTMRCSMFWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-4-20(11-16(2,3)21)15-10-9-14(18-19-15)12-5-7-13(17)8-6-12/h5-10,21H,4,11H2,1-3H3.
What are the key properties of 1-[ethyl-[6-(4-fluorophenyl)pyridazin-3-yl]amino]-2-methylpropan-2-ol?
1-[ethyl-[6-(4-fluorophenyl)pyridazin-3-yl]amino]-2-methylpropan-2-ol has a molecular weight of 289.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[6-(4-fluorophenyl)pyridazin-3-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 133314515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).