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

C15H15F2N3O — CID 103220440

IUPAC5-(cyclobutylamino)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one
SMILESO=c1cc(NC2CCC2)cnn1Cc1cc(F)ccc1F
InChIInChI=1S/C15H15F2N3O/c16-11-4-5-14(17)10(6-11)9-20-15(21)7-13(8-18-20)19-12-2-1-3-12/h4-8,12,19H,1-3,9H2
InChIKeyOJULOLBISNSPTJ-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.53
Rot. Bonds4

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

5-(cyclobutylamino)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one (PubChem CID 103220440) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is 5-(cyclobutylamino)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclobutylamino)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one
PubChem CID103220440
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC Name5-(cyclobutylamino)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one
SMILESO=c1cc(NC2CCC2)cnn1Cc1cc(F)ccc1F
InChIInChI=1S/C15H15F2N3O/c16-11-4-5-14(17)10(6-11)9-20-15(21)7-13(8-18-20)19-12-2-1-3-12/h4-8,12,19H,1-3,9H2
InChIKeyOJULOLBISNSPTJ-UHFFFAOYSA-N
XLogP2.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclobutylamino)-2-[(2,4-dichlorophenyl)methyl]pyridazin-3-one
CID 103220558
2-[(2-bromo-3-fluorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one
CID 103220665
2-[(2,5-difluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218479
2-[(3-chlorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one
CID 103220548
5-(cyclobutylamino)-2-(cyclopentylmethyl)pyridazin-3-one
CID 103220561
2-[(3-bromophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one
CID 103220543
5-(cyclobutylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one
CID 103220632
5-(cyclopropylamino)-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one
CID 103219917
5-(3-aminopropoxy)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one
CID 103223131
5-(cyclobutylamino)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one
CID 103220663
5-(cyclobutylamino)-2-nonylpyridazin-3-one
CID 103220396
2-[[4-(cyclopropylamino)-6-oxopyridazin-1-yl]methyl]benzamide
CID 103219751

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylamino)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 5-(cyclobutylamino)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one (CID 103220440) is 5-(cyclobutylamino)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(cyclobutylamino)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(cyclobutylamino)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one is O=c1cc(NC2CCC2)cnn1Cc1cc(F)ccc1F.
What is the InChIKey of 5-(cyclobutylamino)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one?
The InChIKey is OJULOLBISNSPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c16-11-4-5-14(17)10(6-11)9-20-15(21)7-13(8-18-20)19-12-2-1-3-12/h4-8,12,19H,1-3,9H2.
What are the key properties of 5-(cyclobutylamino)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one?
5-(cyclobutylamino)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one has a molecular weight of 291.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylamino)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 103220440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).