2-[2-[2-(propylamino)cyclopentyl]ethyl]pyridazin-3-one

C14H23N3O — CID 79573458

IUPAC2-[2-[2-(propylamino)cyclopentyl]ethyl]pyridazin-3-one
SMILESCCCNC1CCCC1CCn1ncccc1=O
InChIInChI=1S/C14H23N3O/c1-2-9-15-13-6-3-5-12(13)8-11-17-14(18)7-4-10-16-17/h4,7,10,12-13,15H,2-3,5-6,8-9,11H2,1H3
InChIKeyODFNOYSHRSXZDE-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.80
Rot. Bonds6

About 2-[2-[2-(propylamino)cyclopentyl]ethyl]pyridazin-3-one

2-[2-[2-(propylamino)cyclopentyl]ethyl]pyridazin-3-one (PubChem CID 79573458) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[2-[2-(propylamino)cyclopentyl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[2-(propylamino)cyclopentyl]ethyl]pyridazin-3-one
PubChem CID79573458
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[2-[2-(propylamino)cyclopentyl]ethyl]pyridazin-3-one
SMILESCCCNC1CCCC1CCn1ncccc1=O
InChIInChI=1S/C14H23N3O/c1-2-9-15-13-6-3-5-12(13)8-11-17-14(18)7-4-10-16-17/h4,7,10,12-13,15H,2-3,5-6,8-9,11H2,1H3
InChIKeyODFNOYSHRSXZDE-UHFFFAOYSA-N
XLogP1.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(propylamino)cyclopentyl]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[2-(propylamino)cyclopentyl]ethyl]pyridazin-3-one (CID 79573458) is 2-[2-[2-(propylamino)cyclopentyl]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[2-(propylamino)cyclopentyl]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[2-(propylamino)cyclopentyl]ethyl]pyridazin-3-one is CCCNC1CCCC1CCn1ncccc1=O.
What is the InChIKey of 2-[2-[2-(propylamino)cyclopentyl]ethyl]pyridazin-3-one?
The InChIKey is ODFNOYSHRSXZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-9-15-13-6-3-5-12(13)8-11-17-14(18)7-4-10-16-17/h4,7,10,12-13,15H,2-3,5-6,8-9,11H2,1H3.
What are the key properties of 2-[2-[2-(propylamino)cyclopentyl]ethyl]pyridazin-3-one?
2-[2-[2-(propylamino)cyclopentyl]ethyl]pyridazin-3-one has a molecular weight of 249.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(propylamino)cyclopentyl]ethyl]pyridazin-3-one is sourced from PubChem (CID 79573458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).