2-(3-aminopropyl)-6-(furan-2-yl)pyridazin-3-one

C11H13N3O2 — CID 52903518

IUPAC2-(3-aminopropyl)-6-(furan-2-yl)pyridazin-3-one
SMILESNCCCn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C11H13N3O2/c12-6-2-7-14-11(15)5-4-9(13-14)10-3-1-8-16-10/h1,3-5,8H,2,6-7,12H2
InChIKeyQJMIKZKSVFIIDU-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.85
Rot. Bonds4

About 2-(3-aminopropyl)-6-(furan-2-yl)pyridazin-3-one

2-(3-aminopropyl)-6-(furan-2-yl)pyridazin-3-one (PubChem CID 52903518) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(3-aminopropyl)-6-(furan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-aminopropyl)-6-(furan-2-yl)pyridazin-3-one
PubChem CID52903518
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-(3-aminopropyl)-6-(furan-2-yl)pyridazin-3-one
SMILESNCCCn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C11H13N3O2/c12-6-2-7-14-11(15)5-4-9(13-14)10-3-1-8-16-10/h1,3-5,8H,2,6-7,12H2
InChIKeyQJMIKZKSVFIIDU-UHFFFAOYSA-N
XLogP0.85
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,4-dichlorophenyl)methyl]-6-(furan-2-yl)pyridazin-3-one
CID 7659505
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 121076228
6-(furan-2-yl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one
CID 7659492
2-[(3,3-difluorocyclobutyl)methyl]-6-(furan-2-yl)pyridazin-3-one
CID 167763079
2-(3-aminopropyl)-6-(4-propan-2-ylphenyl)pyridazin-3-one
CID 82036682
6-(furan-2-yl)-2-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]pyridazin-3-one
CID 42111137
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenylbutanamide
CID 16905505
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide
CID 121034447
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[(2R)-6-methylheptan-2-yl]acetamide
CID 52897576
2,4-difluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 16905618
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 16905486
methyl (2R)-2-[[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetyl]amino]-4-methylpentanoate
CID 124854745

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-6-(furan-2-yl)pyridazin-3-one?
The IUPAC name of 2-(3-aminopropyl)-6-(furan-2-yl)pyridazin-3-one (CID 52903518) is 2-(3-aminopropyl)-6-(furan-2-yl)pyridazin-3-one.
What is the SMILES notation for 2-(3-aminopropyl)-6-(furan-2-yl)pyridazin-3-one?
The canonical SMILES for 2-(3-aminopropyl)-6-(furan-2-yl)pyridazin-3-one is NCCCn1nc(-c2ccco2)ccc1=O.
What is the InChIKey of 2-(3-aminopropyl)-6-(furan-2-yl)pyridazin-3-one?
The InChIKey is QJMIKZKSVFIIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-6-2-7-14-11(15)5-4-9(13-14)10-3-1-8-16-10/h1,3-5,8H,2,6-7,12H2.
What are the key properties of 2-(3-aminopropyl)-6-(furan-2-yl)pyridazin-3-one?
2-(3-aminopropyl)-6-(furan-2-yl)pyridazin-3-one has a molecular weight of 219.24 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-6-(furan-2-yl)pyridazin-3-one is sourced from PubChem (CID 52903518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).