6-(1-aminocyclopropyl)-2-ethylpyridazin-3-one

C9H13N3O — CID 84767901

IUPAC6-(1-aminocyclopropyl)-2-ethylpyridazin-3-one
SMILESCCn1nc(C2(N)CC2)ccc1=O
InChIInChI=1S/C9H13N3O/c1-2-12-8(13)4-3-7(11-12)9(10)5-6-9/h3-4H,2,5-6,10H2,1H3
InChIKeyDDNKJDPLGQKGRE-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.21
Rot. Bonds2

About 6-(1-aminocyclopropyl)-2-ethylpyridazin-3-one

6-(1-aminocyclopropyl)-2-ethylpyridazin-3-one (PubChem CID 84767901) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-(1-aminocyclopropyl)-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name6-(1-aminocyclopropyl)-2-ethylpyridazin-3-one
PubChem CID84767901
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name6-(1-aminocyclopropyl)-2-ethylpyridazin-3-one
SMILESCCn1nc(C2(N)CC2)ccc1=O
InChIInChI=1S/C9H13N3O/c1-2-12-8(13)4-3-7(11-12)9(10)5-6-9/h3-4H,2,5-6,10H2,1H3
InChIKeyDDNKJDPLGQKGRE-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

2-(1-Fluoroethyl)-6-propan-2-ylpyridazin-3-one
CID 170175302
6-Cyclopropyl-2-(2,2,2-trifluoroethyl)-2,3-dihydropyridazin-3-one
CID 126857342
2-[(2S)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one
CID 25802815
2-[(2R)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one
CID 25802979
2,6-Di(propan-2-yl)pyridazin-3-one
CID 58748005
2-(2-Methylpropyl)-6-propan-2-ylpyridazin-3-one
CID 138715793
2-(3-Methylbutyl)-6-propylpyridazin-3-one
CID 142690980
2-Ethyl-6-propan-2-ylpyridazin-3-one
CID 146745776
6-[1-(3-Methylbutylamino)propyl]-2-propylpyridazin-3-one
CID 156423812
2,6-Diethylpyridazin-3-one
CID 168208652
2-Cyclopropyl-6-propan-2-ylpyridazin-3-one
CID 168723844
2-[(E)-4-aminobut-2-enyl]-6-methylpyridazin-3-one
CID 66045388

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminocyclopropyl)-2-ethylpyridazin-3-one?
The IUPAC name of 6-(1-aminocyclopropyl)-2-ethylpyridazin-3-one (CID 84767901) is 6-(1-aminocyclopropyl)-2-ethylpyridazin-3-one.
What is the SMILES notation for 6-(1-aminocyclopropyl)-2-ethylpyridazin-3-one?
The canonical SMILES for 6-(1-aminocyclopropyl)-2-ethylpyridazin-3-one is CCn1nc(C2(N)CC2)ccc1=O.
What is the InChIKey of 6-(1-aminocyclopropyl)-2-ethylpyridazin-3-one?
The InChIKey is DDNKJDPLGQKGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-12-8(13)4-3-7(11-12)9(10)5-6-9/h3-4H,2,5-6,10H2,1H3.
What are the key properties of 6-(1-aminocyclopropyl)-2-ethylpyridazin-3-one?
6-(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 6-(1-aminocyclopropyl)-2-ethylpyridazin-3-one is sourced from PubChem (CID 84767901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).