5-amino-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridazin-3-one

C13H12FN3O2 — CID 103218410

IUPAC5-amino-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridazin-3-one
SMILESNc1cnn(CC2Cc3cc(F)ccc3O2)c(=O)c1
InChIInChI=1S/C13H12FN3O2/c14-9-1-2-12-8(3-9)4-11(19-12)7-17-13(18)5-10(15)6-16-17/h1-3,5-6,11H,4,7,15H2
InChIKeyVCSCKZYJSHWOJE-UHFFFAOYSA-N
MW261.26 g/mol
LogP0.97
Rot. Bonds2

About 5-amino-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridazin-3-one

5-amino-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridazin-3-one (PubChem CID 103218410) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 5-amino-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridazin-3-one
PubChem CID103218410
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name5-amino-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridazin-3-one
SMILESNc1cnn(CC2Cc3cc(F)ccc3O2)c(=O)c1
InChIInChI=1S/C13H12FN3O2/c14-9-1-2-12-8(3-9)4-11(19-12)7-17-13(18)5-10(15)6-16-17/h1-3,5-6,11H,4,7,15H2
InChIKeyVCSCKZYJSHWOJE-UHFFFAOYSA-N
XLogP0.97
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218760
3-amino-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridin-2-one
CID 66365093
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
5-(aminomethyl)-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazolidin-2-one
CID 112594323
4,5-dichloro-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridazin-3-one
CID 114386479
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]indol-5-amine
CID 66364702
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-6-amine
CID 66363550
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazole
CID 66360136
1-(2-chloroethyl)-4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine
CID 66361479
5,6-dichloro-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrimidin-4-one
CID 114582943
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(ethylamino)pyridazin-3-one
CID 103218917
4-(chloromethyl)-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazole
CID 106720840

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-amino-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridazin-3-one (CID 103218410) is 5-amino-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-amino-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-amino-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridazin-3-one is Nc1cnn(CC2Cc3cc(F)ccc3O2)c(=O)c1.
What is the InChIKey of 5-amino-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridazin-3-one?
The InChIKey is VCSCKZYJSHWOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c14-9-1-2-12-8(3-9)4-11(19-12)7-17-13(18)5-10(15)6-16-17/h1-3,5-6,11H,4,7,15H2.
What are the key properties of 5-amino-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridazin-3-one?
5-amino-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridazin-3-one has a molecular weight of 261.26 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103218410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).