(S)-amino-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]methanol

C15H19FN4O — CID 163936146

IUPAC(S)-amino-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]methanol
SMILESCC(C)(CNc1ccc([C@@H](N)O)nn1)c1ccc(F)cc1
InChIInChI=1S/C15H19FN4O/c1-15(2,10-3-5-11(16)6-4-10)9-18-13-8-7-12(14(17)21)19-20-13/h3-8,14,21H,9,17H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyRMZFFLXKUDTLJN-AWEZNQCLSA-N
MW290.34 g/mol
LogP1.96
Rot. Bonds5

About (S)-amino-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]methanol

(S)-amino-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]methanol (PubChem CID 163936146) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is (S)-amino-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]methanol.

Molecular Properties

Compound Name(S)-amino-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]methanol
PubChem CID163936146
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name(S)-amino-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]methanol
SMILESCC(C)(CNc1ccc([C@@H](N)O)nn1)c1ccc(F)cc1
InChIInChI=1S/C15H19FN4O/c1-15(2,10-3-5-11(16)6-4-10)9-18-13-8-7-12(14(17)21)19-20-13/h3-8,14,21H,9,17H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyRMZFFLXKUDTLJN-AWEZNQCLSA-N
XLogP1.96
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (S)-amino-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]methanol?
The IUPAC name of (S)-amino-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]methanol (CID 163936146) is (S)-amino-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]methanol.
What is the SMILES notation for (S)-amino-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]methanol?
The canonical SMILES for (S)-amino-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]methanol is CC(C)(CNc1ccc([C@@H](N)O)nn1)c1ccc(F)cc1.
What is the InChIKey of (S)-amino-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]methanol?
The InChIKey is RMZFFLXKUDTLJN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-15(2,10-3-5-11(16)6-4-10)9-18-13-8-7-12(14(17)21)19-20-13/h3-8,14,21H,9,17H2,1-2H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (S)-amino-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]methanol?
(S)-amino-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]methanol has a molecular weight of 290.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-amino-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]methanol is sourced from PubChem (CID 163936146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).