5-[2-(1-aminocyclopropyl)ethyl]-2-ethylpyridazin-3-one

C11H17N3O — CID 105460676

IUPAC5-[2-(1-aminocyclopropyl)ethyl]-2-ethylpyridazin-3-one
SMILESCCn1ncc(CCC2(N)CC2)cc1=O
InChIInChI=1S/C11H17N3O/c1-2-14-10(15)7-9(8-13-14)3-4-11(12)5-6-11/h7-8H,2-6,12H2,1H3
InChIKeyFUHGGXJWHWLFJL-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.69
Rot. Bonds4

About 5-[2-(1-aminocyclopropyl)ethyl]-2-ethylpyridazin-3-one

5-[2-(1-aminocyclopropyl)ethyl]-2-ethylpyridazin-3-one (PubChem CID 105460676) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-[2-(1-aminocyclopropyl)ethyl]-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name5-[2-(1-aminocyclopropyl)ethyl]-2-ethylpyridazin-3-one
PubChem CID105460676
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-[2-(1-aminocyclopropyl)ethyl]-2-ethylpyridazin-3-one
SMILESCCn1ncc(CCC2(N)CC2)cc1=O
InChIInChI=1S/C11H17N3O/c1-2-14-10(15)7-9(8-13-14)3-4-11(12)5-6-11/h7-8H,2-6,12H2,1H3
InChIKeyFUHGGXJWHWLFJL-UHFFFAOYSA-N
XLogP0.69
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-Aminocyclopropyl)-2-ethylpyridazin-3-one
CID 84767900
5-(1-Aminocyclopropyl)-2-tert-butylpyridazin-3-one
CID 84779714
4-[2-(1-aminocyclopropyl)ethyl]-1H-pyridazin-6-one
CID 105438121
6-[2-(1-Aminocyclopropyl)ethyl]-2-ethylpyridazin-3-one
CID 105460675
6-[2-(1-Aminocyclopropyl)ethyl]-2-propan-2-ylpyridazin-3-one
CID 105477958
5-[2-(1-Aminocyclopropyl)ethyl]-2-tert-butylpyridazin-3-one
CID 105496764

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-aminocyclopropyl)ethyl]-2-ethylpyridazin-3-one?
The IUPAC name of 5-[2-(1-aminocyclopropyl)ethyl]-2-ethylpyridazin-3-one (CID 105460676) is 5-[2-(1-aminocyclopropyl)ethyl]-2-ethylpyridazin-3-one.
What is the SMILES notation for 5-[2-(1-aminocyclopropyl)ethyl]-2-ethylpyridazin-3-one?
The canonical SMILES for 5-[2-(1-aminocyclopropyl)ethyl]-2-ethylpyridazin-3-one is CCn1ncc(CCC2(N)CC2)cc1=O.
What is the InChIKey of 5-[2-(1-aminocyclopropyl)ethyl]-2-ethylpyridazin-3-one?
The InChIKey is FUHGGXJWHWLFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-14-10(15)7-9(8-13-14)3-4-11(12)5-6-11/h7-8H,2-6,12H2,1H3.
What are the key properties of 5-[2-(1-aminocyclopropyl)ethyl]-2-ethylpyridazin-3-one?
5-[2-(1-aminocyclopropyl)ethyl]-2-ethylpyridazin-3-one has a molecular weight of 207.28 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-aminocyclopropyl)ethyl]-2-ethylpyridazin-3-one is sourced from PubChem (CID 105460676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).