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

C11H17N3O — CID 63913974

IUPAC2-[2-cyclopropyl-2-(ethylamino)ethyl]pyridazin-3-one
SMILESCCNC(Cn1ncccc1=O)C1CC1
InChIInChI=1S/C11H17N3O/c1-2-12-10(9-5-6-9)8-14-11(15)4-3-7-13-14/h3-4,7,9-10,12H,2,5-6,8H2,1H3
InChIKeyZTMGXVMAGVDQPT-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.63
Rot. Bonds5

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

2-[2-cyclopropyl-2-(ethylamino)ethyl]pyridazin-3-one (PubChem CID 63913974) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[2-cyclopropyl-2-(ethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-cyclopropyl-2-(ethylamino)ethyl]pyridazin-3-one
PubChem CID63913974
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[2-cyclopropyl-2-(ethylamino)ethyl]pyridazin-3-one
SMILESCCNC(Cn1ncccc1=O)C1CC1
InChIInChI=1S/C11H17N3O/c1-2-12-10(9-5-6-9)8-14-11(15)4-3-7-13-14/h3-4,7,9-10,12H,2,5-6,8H2,1H3
InChIKeyZTMGXVMAGVDQPT-UHFFFAOYSA-N
XLogP0.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.63
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-(ethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-cyclopropyl-2-(ethylamino)ethyl]pyridazin-3-one (CID 63913974) is 2-[2-cyclopropyl-2-(ethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-cyclopropyl-2-(ethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-cyclopropyl-2-(ethylamino)ethyl]pyridazin-3-one is CCNC(Cn1ncccc1=O)C1CC1.
What is the InChIKey of 2-[2-cyclopropyl-2-(ethylamino)ethyl]pyridazin-3-one?
The InChIKey is ZTMGXVMAGVDQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-12-10(9-5-6-9)8-14-11(15)4-3-7-13-14/h3-4,7,9-10,12H,2,5-6,8H2,1H3.
What are the key properties of 2-[2-cyclopropyl-2-(ethylamino)ethyl]pyridazin-3-one?
2-[2-cyclopropyl-2-(ethylamino)ethyl]pyridazin-3-one has a molecular weight of 207.28 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyl-2-(ethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 63913974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).