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

C12H19N3O — CID 63914194

IUPAC2-[2-cyclopropyl-2-(propylamino)ethyl]pyridazin-3-one
SMILESCCCNC(Cn1ncccc1=O)C1CC1
InChIInChI=1S/C12H19N3O/c1-2-7-13-11(10-5-6-10)9-15-12(16)4-3-8-14-15/h3-4,8,10-11,13H,2,5-7,9H2,1H3
InChIKeyHPQNRRDCNUUFJN-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.02
Rot. Bonds6

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

2-[2-cyclopropyl-2-(propylamino)ethyl]pyridazin-3-one (PubChem CID 63914194) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[2-cyclopropyl-2-(propylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-cyclopropyl-2-(propylamino)ethyl]pyridazin-3-one
PubChem CID63914194
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[2-cyclopropyl-2-(propylamino)ethyl]pyridazin-3-one
SMILESCCCNC(Cn1ncccc1=O)C1CC1
InChIInChI=1S/C12H19N3O/c1-2-7-13-11(10-5-6-10)9-15-12(16)4-3-8-14-15/h3-4,8,10-11,13H,2,5-7,9H2,1H3
InChIKeyHPQNRRDCNUUFJN-UHFFFAOYSA-N
XLogP1.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(3R)-piperidin-3-yl]pyridazin-3-one
CID 166162665
4-Methyl-2-piperidin-3-ylpyridazin-3-one
CID 166162695
2-[(2S,5R)-2-methyl-5-propylpiperazin-1-yl]pyridazin-3-one
CID 178673093
N-(2-methylcyclohexyl)-2-(6-oxopyridazin-1(6H)-yl)acetamide
CID 45548741
2-[2-(Heptan-2-ylamino)ethyl]pyridazin-3-one
CID 55126826
2-[2-[(3-Methylcyclohexyl)amino]ethyl]pyridazin-3-one
CID 55126873
2-[2-[(2-Methylcyclohexyl)amino]ethyl]pyridazin-3-one
CID 55126876
2-[3,3-Dimethyl-2-(methylamino)butyl]pyridazin-3-one
CID 62848545
2-[2-(5-Methylhexan-2-ylamino)ethyl]pyridazin-3-one
CID 62848568
2-[2-(1-Cyclopropylethylamino)ethyl]pyridazin-3-one
CID 62848570
2-[2-(Butylamino)ethyl]pyridazin-3-one
CID 62848573
2-[3-(Propylamino)butyl]pyridazin-3-one
CID 62848727

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-2-(propylamino)ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-cyclopropyl-2-(propylamino)ethyl]pyridazin-3-one (CID 63914194) is 2-[2-cyclopropyl-2-(propylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-cyclopropyl-2-(propylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-cyclopropyl-2-(propylamino)ethyl]pyridazin-3-one is CCCNC(Cn1ncccc1=O)C1CC1.
What is the InChIKey of 2-[2-cyclopropyl-2-(propylamino)ethyl]pyridazin-3-one?
The InChIKey is HPQNRRDCNUUFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-7-13-11(10-5-6-10)9-15-12(16)4-3-8-14-15/h3-4,8,10-11,13H,2,5-7,9H2,1H3.
What are the key properties of 2-[2-cyclopropyl-2-(propylamino)ethyl]pyridazin-3-one?
2-[2-cyclopropyl-2-(propylamino)ethyl]pyridazin-3-one has a molecular weight of 221.30 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyl-2-(propylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 63914194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).