2-[(3,5-difluorophenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one

C14H15F2N3O — CID 103219479

IUPAC2-[(3,5-difluorophenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(C)Nc1cnn(Cc2cc(F)cc(F)c2)c(=O)c1
InChIInChI=1S/C14H15F2N3O/c1-9(2)18-13-6-14(20)19(17-7-13)8-10-3-11(15)5-12(16)4-10/h3-7,9,18H,8H2,1-2H3
InChIKeyBUKOSDKUGQYHHX-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.39
Rot. Bonds4

About 2-[(3,5-difluorophenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one

2-[(3,5-difluorophenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one (PubChem CID 103219479) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one
PubChem CID103219479
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name2-[(3,5-difluorophenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(C)Nc1cnn(Cc2cc(F)cc(F)c2)c(=O)c1
InChIInChI=1S/C14H15F2N3O/c1-9(2)18-13-6-14(20)19(17-7-13)8-10-3-11(15)5-12(16)4-10/h3-7,9,18H,8H2,1-2H3
InChIKeyBUKOSDKUGQYHHX-UHFFFAOYSA-N
XLogP2.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3,5-difluorophenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-fluoro-4-methoxyphenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one
CID 103219476
2-pentyl-5-(propan-2-ylamino)pyridazin-3-one
CID 103219492
2-(3-methylsulfanylpropyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 103219466
5-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)pyridazin-3-one
CID 103219386
5-(ethylamino)-2-[(4-fluorophenyl)methyl]pyridazin-3-one
CID 103218930
2-(2-oxo-2-piperidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 103219554
5-(2-aminopropoxy)-2-[(3-bromo-5-fluorophenyl)methyl]pyridazin-3-one
CID 103222923
2-[2-(1-methylpiperidin-2-yl)ethyl]-5-(propan-2-ylamino)pyridazin-3-one
CID 107914573
N-cyclohexyl-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide
CID 103219584
2-[(3-chloro-4-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218654
2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one
CID 103219578
2-[(3,4-difluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223667

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one (CID 103219479) is 2-[(3,5-difluorophenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one is CC(C)Nc1cnn(Cc2cc(F)cc(F)c2)c(=O)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one?
The InChIKey is BUKOSDKUGQYHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-9(2)18-13-6-14(20)19(17-7-13)8-10-3-11(15)5-12(16)4-10/h3-7,9,18H,8H2,1-2H3.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one?
2-[(3,5-difluorophenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one has a molecular weight of 279.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 103219479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).