5-(1-aminocyclopropyl)-2-ethylpyridazin-3-one

C9H13N3O — CID 84767900

IUPAC5-(1-aminocyclopropyl)-2-ethylpyridazin-3-one
SMILESCCn1ncc(C2(N)CC2)cc1=O
InChIInChI=1S/C9H13N3O/c1-2-12-8(13)5-7(6-11-12)9(10)3-4-9/h5-6H,2-4,10H2,1H3
InChIKeyAOYMXWAKGRCXRB-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.21
Rot. Bonds2

About 5-(1-aminocyclopropyl)-2-ethylpyridazin-3-one

5-(1-aminocyclopropyl)-2-ethylpyridazin-3-one (PubChem CID 84767900) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-(1-aminocyclopropyl)-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name5-(1-aminocyclopropyl)-2-ethylpyridazin-3-one
PubChem CID84767900
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-(1-aminocyclopropyl)-2-ethylpyridazin-3-one
SMILESCCn1ncc(C2(N)CC2)cc1=O
InChIInChI=1S/C9H13N3O/c1-2-12-8(13)5-7(6-11-12)9(10)3-4-9/h5-6H,2-4,10H2,1H3
InChIKeyAOYMXWAKGRCXRB-UHFFFAOYSA-N
XLogP0.21
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-Aminocyclopropyl)-4-chloro-2-methylpyridazin-3-one
CID 177361747
4-(1-aminocyclopropyl)-1H-pyridazin-6-one
CID 84763250
6-(1-Aminocyclopropyl)-2-ethylpyridazin-3-one
CID 84767901
6-(1-Aminocyclopropyl)-2-propan-2-ylpyridazin-3-one
CID 84772819
5-(1-Aminocyclopropyl)-2-tert-butylpyridazin-3-one
CID 84779714
5-[2-(1-Aminocyclopropyl)ethyl]-2-ethylpyridazin-3-one
CID 105460676
5-[2-(1-Aminocyclopropyl)ethyl]-2-tert-butylpyridazin-3-one
CID 105496764

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclopropyl)-2-ethylpyridazin-3-one?
The IUPAC name of 5-(1-aminocyclopropyl)-2-ethylpyridazin-3-one (CID 84767900) is 5-(1-aminocyclopropyl)-2-ethylpyridazin-3-one.
What is the SMILES notation for 5-(1-aminocyclopropyl)-2-ethylpyridazin-3-one?
The canonical SMILES for 5-(1-aminocyclopropyl)-2-ethylpyridazin-3-one is CCn1ncc(C2(N)CC2)cc1=O.
What is the InChIKey of 5-(1-aminocyclopropyl)-2-ethylpyridazin-3-one?
The InChIKey is AOYMXWAKGRCXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-12-8(13)5-7(6-11-12)9(10)3-4-9/h5-6H,2-4,10H2,1H3.
What are the key properties of 5-(1-aminocyclopropyl)-2-ethylpyridazin-3-one?
5-(1-aminocyclopropyl)-2-ethylpyridazin-3-one has a molecular weight of 179.22 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclopropyl)-2-ethylpyridazin-3-one is sourced from PubChem (CID 84767900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).