6-[(cyclopropylamino)methyl]-2-(2,5-difluorophenyl)-5-hydroxypyridazin-3-one

C14H13F2N3O2 — CID 82421558

IUPAC6-[(cyclopropylamino)methyl]-2-(2,5-difluorophenyl)-5-hydroxypyridazin-3-one
SMILESO=c1cc(O)c(CNC2CC2)nn1-c1cc(F)ccc1F
InChIInChI=1S/C14H13F2N3O2/c15-8-1-4-10(16)12(5-8)19-14(21)6-13(20)11(18-19)7-17-9-2-3-9/h1,4-6,9,17,20H,2-3,7H2
InChIKeyZIVXBLPQJBSCEU-UHFFFAOYSA-N
MW293.27 g/mol
LogP1.47
Rot. Bonds4

About 6-[(cyclopropylamino)methyl]-2-(2,5-difluorophenyl)-5-hydroxypyridazin-3-one

6-[(cyclopropylamino)methyl]-2-(2,5-difluorophenyl)-5-hydroxypyridazin-3-one (PubChem CID 82421558) has the molecular formula C14H13F2N3O2 and a molecular weight of 293.27 g/mol. Its IUPAC name is 6-[(cyclopropylamino)methyl]-2-(2,5-difluorophenyl)-5-hydroxypyridazin-3-one.

Molecular Properties

Compound Name6-[(cyclopropylamino)methyl]-2-(2,5-difluorophenyl)-5-hydroxypyridazin-3-one
PubChem CID82421558
Molecular FormulaC14H13F2N3O2
Molecular Weight293.27 g/mol
Exact Mass293.10
IUPAC Name6-[(cyclopropylamino)methyl]-2-(2,5-difluorophenyl)-5-hydroxypyridazin-3-one
SMILESO=c1cc(O)c(CNC2CC2)nn1-c1cc(F)ccc1F
InChIInChI=1S/C14H13F2N3O2/c15-8-1-4-10(16)12(5-8)19-14(21)6-13(20)11(18-19)7-17-9-2-3-9/h1,4-6,9,17,20H,2-3,7H2
InChIKeyZIVXBLPQJBSCEU-UHFFFAOYSA-N
XLogP1.47
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(cyclopropylamino)methyl]-2-(2-fluorophenyl)-5-hydroxypyridazin-3-one
CID 82421633
6-[(cyclopropylamino)methyl]-2-(2,6-difluorophenyl)-5-hydroxypyridazin-3-one
CID 82420777
2-[1-(2,5-difluorophenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetic acid
CID 82421564
6-[(cyclopropylamino)methyl]-2-(4-ethylphenyl)-5-hydroxypyridazin-3-one
CID 82421061
6-[(cyclopropylamino)methyl]-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one
CID 82420089
2-(3-fluorophenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one
CID 82421915
2-(2-ethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
CID 82420300
2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one
CID 82420505
2-[(cyclobutylamino)methyl]-5-fluorophenol
CID 117220815
N-[[1-(2,4-difluorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737963
N-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 79771903
N-[[1-(2-chloro-5-fluorophenyl)triazol-4-yl]methyl]cyclopropanamine
CID 107531699

Frequently Asked Questions

What is the IUPAC name of 6-[(cyclopropylamino)methyl]-2-(2,5-difluorophenyl)-5-hydroxypyridazin-3-one?
The IUPAC name of 6-[(cyclopropylamino)methyl]-2-(2,5-difluorophenyl)-5-hydroxypyridazin-3-one (CID 82421558) is 6-[(cyclopropylamino)methyl]-2-(2,5-difluorophenyl)-5-hydroxypyridazin-3-one.
What is the SMILES notation for 6-[(cyclopropylamino)methyl]-2-(2,5-difluorophenyl)-5-hydroxypyridazin-3-one?
The canonical SMILES for 6-[(cyclopropylamino)methyl]-2-(2,5-difluorophenyl)-5-hydroxypyridazin-3-one is O=c1cc(O)c(CNC2CC2)nn1-c1cc(F)ccc1F.
What is the InChIKey of 6-[(cyclopropylamino)methyl]-2-(2,5-difluorophenyl)-5-hydroxypyridazin-3-one?
The InChIKey is ZIVXBLPQJBSCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O2/c15-8-1-4-10(16)12(5-8)19-14(21)6-13(20)11(18-19)7-17-9-2-3-9/h1,4-6,9,17,20H,2-3,7H2.
What are the key properties of 6-[(cyclopropylamino)methyl]-2-(2,5-difluorophenyl)-5-hydroxypyridazin-3-one?
6-[(cyclopropylamino)methyl]-2-(2,5-difluorophenyl)-5-hydroxypyridazin-3-one has a molecular weight of 293.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(cyclopropylamino)methyl]-2-(2,5-difluorophenyl)-5-hydroxypyridazin-3-one is sourced from PubChem (CID 82421558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).