3-[4-(benzylamino)-3-(furan-2-yl)phenyl]-1H-pyridazin-6-one

C21H17N3O2 — CID 168527891

IUPAC3-[4-(benzylamino)-3-(furan-2-yl)phenyl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(NCc3ccccc3)c(-c3ccco3)c2)n[nH]1
InChIInChI=1S/C21H17N3O2/c25-21-11-10-18(23-24-21)16-8-9-19(17(13-16)20-7-4-12-26-20)22-14-15-5-2-1-3-6-15/h1-13,22H,14H2,(H,24,25)
InChIKeyXVDAEMZFQZSLGG-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.31
Rot. Bonds5

About 3-[4-(benzylamino)-3-(furan-2-yl)phenyl]-1H-pyridazin-6-one

3-[4-(benzylamino)-3-(furan-2-yl)phenyl]-1H-pyridazin-6-one (PubChem CID 168527891) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-[4-(benzylamino)-3-(furan-2-yl)phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(benzylamino)-3-(furan-2-yl)phenyl]-1H-pyridazin-6-one
PubChem CID168527891
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name3-[4-(benzylamino)-3-(furan-2-yl)phenyl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(NCc3ccccc3)c(-c3ccco3)c2)n[nH]1
InChIInChI=1S/C21H17N3O2/c25-21-11-10-18(23-24-21)16-8-9-19(17(13-16)20-7-4-12-26-20)22-14-15-5-2-1-3-6-15/h1-13,22H,14H2,(H,24,25)
InChIKeyXVDAEMZFQZSLGG-UHFFFAOYSA-N
XLogP4.31
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(benzylamino)-3-methylphenyl]-1H-pyridazin-6-one
CID 58254647
3-[4-(furan-2-yl)phenyl]-1H-pyridazin-6-one
CID 168527958
4-amino-5-[2-(benzylamino)-5-(6-oxo-1H-pyridazin-3-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330574
3-[2-(benzylamino)-5-(6-oxo-1H-pyridazin-3-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168557819
3-(furan-2-yl)-1H-pyridazin-6-one;5-methyl-3-phenyl-1H-pyridazin-6-one
CID 67695181
N-[(4-aminophenyl)methyl]-4-(furan-2-yl)-2,3-dimethylaniline
CID 59230441
3-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenyl]-1H-pyridazin-6-one
CID 168582967
2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-N-methylaniline;sulfur dioxide
CID 159364916
1,4,5,8-tetrakis(benzylamino)anthracene-9,10-dione
CID 154150456
2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide
CID 53054093
4-[3-chloro-4-(furan-2-yl)phenyl]-1H-pyrimidin-6-one
CID 137245690
N-[2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenyl]-4-methylbenzamide
CID 122425162

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzylamino)-3-(furan-2-yl)phenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(benzylamino)-3-(furan-2-yl)phenyl]-1H-pyridazin-6-one (CID 168527891) is 3-[4-(benzylamino)-3-(furan-2-yl)phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(benzylamino)-3-(furan-2-yl)phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(benzylamino)-3-(furan-2-yl)phenyl]-1H-pyridazin-6-one is O=c1ccc(-c2ccc(NCc3ccccc3)c(-c3ccco3)c2)n[nH]1.
What is the InChIKey of 3-[4-(benzylamino)-3-(furan-2-yl)phenyl]-1H-pyridazin-6-one?
The InChIKey is XVDAEMZFQZSLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-21-11-10-18(23-24-21)16-8-9-19(17(13-16)20-7-4-12-26-20)22-14-15-5-2-1-3-6-15/h1-13,22H,14H2,(H,24,25).
What are the key properties of 3-[4-(benzylamino)-3-(furan-2-yl)phenyl]-1H-pyridazin-6-one?
3-[4-(benzylamino)-3-(furan-2-yl)phenyl]-1H-pyridazin-6-one has a molecular weight of 343.39 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzylamino)-3-(furan-2-yl)phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 168527891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).