2-[(3,3-difluorocyclopentyl)methyl]-5-(ethylamino)pyridazin-3-one

C12H17F2N3O — CID 114226081

IUPAC2-[(3,3-difluorocyclopentyl)methyl]-5-(ethylamino)pyridazin-3-one
SMILESCCNc1cnn(CC2CCC(F)(F)C2)c(=O)c1
InChIInChI=1S/C12H17F2N3O/c1-2-15-10-5-11(18)17(16-7-10)8-9-3-4-12(13,14)6-9/h5,7,9,15H,2-4,6,8H2,1H3
InChIKeyRRJUQLBNHZLEHB-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.11
Rot. Bonds4

About 2-[(3,3-difluorocyclopentyl)methyl]-5-(ethylamino)pyridazin-3-one

2-[(3,3-difluorocyclopentyl)methyl]-5-(ethylamino)pyridazin-3-one (PubChem CID 114226081) has the molecular formula C12H17F2N3O and a molecular weight of 257.28 g/mol. Its IUPAC name is 2-[(3,3-difluorocyclopentyl)methyl]-5-(ethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(3,3-difluorocyclopentyl)methyl]-5-(ethylamino)pyridazin-3-one
PubChem CID114226081
Molecular FormulaC12H17F2N3O
Molecular Weight257.28 g/mol
Exact Mass257.13
IUPAC Name2-[(3,3-difluorocyclopentyl)methyl]-5-(ethylamino)pyridazin-3-one
SMILESCCNc1cnn(CC2CCC(F)(F)C2)c(=O)c1
InChIInChI=1S/C12H17F2N3O/c1-2-15-10-5-11(18)17(16-7-10)8-9-3-4-12(13,14)6-9/h5,7,9,15H,2-4,6,8H2,1H3
InChIKeyRRJUQLBNHZLEHB-UHFFFAOYSA-N
XLogP2.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluorocyclopentyl)methyl]-5-(ethylamino)pyridazin-3-one?
The IUPAC name of 2-[(3,3-difluorocyclopentyl)methyl]-5-(ethylamino)pyridazin-3-one (CID 114226081) is 2-[(3,3-difluorocyclopentyl)methyl]-5-(ethylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(3,3-difluorocyclopentyl)methyl]-5-(ethylamino)pyridazin-3-one?
The canonical SMILES for 2-[(3,3-difluorocyclopentyl)methyl]-5-(ethylamino)pyridazin-3-one is CCNc1cnn(CC2CCC(F)(F)C2)c(=O)c1.
What is the InChIKey of 2-[(3,3-difluorocyclopentyl)methyl]-5-(ethylamino)pyridazin-3-one?
The InChIKey is RRJUQLBNHZLEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O/c1-2-15-10-5-11(18)17(16-7-10)8-9-3-4-12(13,14)6-9/h5,7,9,15H,2-4,6,8H2,1H3.
What are the key properties of 2-[(3,3-difluorocyclopentyl)methyl]-5-(ethylamino)pyridazin-3-one?
2-[(3,3-difluorocyclopentyl)methyl]-5-(ethylamino)pyridazin-3-one has a molecular weight of 257.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluorocyclopentyl)methyl]-5-(ethylamino)pyridazin-3-one is sourced from PubChem (CID 114226081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).