2-benzyl-5-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridazin-3-one

C19H18FN3O2 — CID 97016085

IUPAC2-benzyl-5-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridazin-3-one
SMILESO=c1cc(NC[C@H](O)c2ccc(F)cc2)cnn1Cc1ccccc1
InChIInChI=1S/C19H18FN3O2/c20-16-8-6-15(7-9-16)18(24)12-21-17-10-19(25)23(22-11-17)13-14-4-2-1-3-5-14/h1-11,18,21,24H,12-13H2/t18-/m0/s1
InChIKeyHQKVBNANLFEUPT-SFHVURJKSA-N
MW339.37 g/mol
LogP2.58
Rot. Bonds6

About 2-benzyl-5-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridazin-3-one

2-benzyl-5-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridazin-3-one (PubChem CID 97016085) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-benzyl-5-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-5-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridazin-3-one
PubChem CID97016085
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name2-benzyl-5-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridazin-3-one
SMILESO=c1cc(NC[C@H](O)c2ccc(F)cc2)cnn1Cc1ccccc1
InChIInChI=1S/C19H18FN3O2/c20-16-8-6-15(7-9-16)18(24)12-21-17-10-19(25)23(22-11-17)13-14-4-2-1-3-5-14/h1-11,18,21,24H,12-13H2/t18-/m0/s1
InChIKeyHQKVBNANLFEUPT-SFHVURJKSA-N
XLogP2.58
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylamino)-2-[(4-fluorophenyl)methyl]pyridazin-3-one
CID 103218930
2-(4-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60719916
2-[(3-bromophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one
CID 103221567
2-[(1-benzylpyrazol-4-yl)methylamino]-1-(4-fluorophenyl)ethanol
CID 86776354
2-benzyl-4-chloro-5-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazin-3-one
CID 133375920
2-benzyl-5-phenylpyridazin-3-one
CID 71418083
2-[(3,5-difluorophenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one
CID 103219479
5-(2-aminoethylamino)-2-(3-phenylpropyl)pyridazin-3-one
CID 103221075
2-[(3-chloro-4-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223669
2-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one
CID 107313022
2-[(2-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223567
4-[[4-(ethylamino)-6-oxopyridazin-1-yl]methyl]benzamide
CID 103218894

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridazin-3-one?
The IUPAC name of 2-benzyl-5-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridazin-3-one (CID 97016085) is 2-benzyl-5-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridazin-3-one.
What is the SMILES notation for 2-benzyl-5-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridazin-3-one?
The canonical SMILES for 2-benzyl-5-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridazin-3-one is O=c1cc(NC[C@H](O)c2ccc(F)cc2)cnn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-5-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridazin-3-one?
The InChIKey is HQKVBNANLFEUPT-SFHVURJKSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-16-8-6-15(7-9-16)18(24)12-21-17-10-19(25)23(22-11-17)13-14-4-2-1-3-5-14/h1-11,18,21,24H,12-13H2/t18-/m0/s1.
What are the key properties of 2-benzyl-5-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridazin-3-one?
2-benzyl-5-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridazin-3-one has a molecular weight of 339.37 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridazin-3-one is sourced from PubChem (CID 97016085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).