6-[(butan-2-ylamino)methyl]-2-ethylpyridazin-3-one

C11H19N3O — CID 82442166

IUPAC6-[(butan-2-ylamino)methyl]-2-ethylpyridazin-3-one
SMILESCCC(C)NCc1ccc(=O)n(CC)n1
InChIInChI=1S/C11H19N3O/c1-4-9(3)12-8-10-6-7-11(15)14(5-2)13-10/h6-7,9,12H,4-5,8H2,1-3H3
InChIKeyRFHLPIOADNTAJS-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.15
Rot. Bonds5

About 6-[(butan-2-ylamino)methyl]-2-ethylpyridazin-3-one

6-[(butan-2-ylamino)methyl]-2-ethylpyridazin-3-one (PubChem CID 82442166) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 6-[(butan-2-ylamino)methyl]-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name6-[(butan-2-ylamino)methyl]-2-ethylpyridazin-3-one
PubChem CID82442166
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name6-[(butan-2-ylamino)methyl]-2-ethylpyridazin-3-one
SMILESCCC(C)NCc1ccc(=O)n(CC)n1
InChIInChI=1S/C11H19N3O/c1-4-9(3)12-8-10-6-7-11(15)14(5-2)13-10/h6-7,9,12H,4-5,8H2,1-3H3
InChIKeyRFHLPIOADNTAJS-UHFFFAOYSA-N
XLogP1.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(butan-2-ylamino)methyl]-2-ethylpyridazin-3-one?
The IUPAC name of 6-[(butan-2-ylamino)methyl]-2-ethylpyridazin-3-one (CID 82442166) is 6-[(butan-2-ylamino)methyl]-2-ethylpyridazin-3-one.
What is the SMILES notation for 6-[(butan-2-ylamino)methyl]-2-ethylpyridazin-3-one?
The canonical SMILES for 6-[(butan-2-ylamino)methyl]-2-ethylpyridazin-3-one is CCC(C)NCc1ccc(=O)n(CC)n1.
What is the InChIKey of 6-[(butan-2-ylamino)methyl]-2-ethylpyridazin-3-one?
The InChIKey is RFHLPIOADNTAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-9(3)12-8-10-6-7-11(15)14(5-2)13-10/h6-7,9,12H,4-5,8H2,1-3H3.
What are the key properties of 6-[(butan-2-ylamino)methyl]-2-ethylpyridazin-3-one?
6-[(butan-2-ylamino)methyl]-2-ethylpyridazin-3-one has a molecular weight of 209.29 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(butan-2-ylamino)methyl]-2-ethylpyridazin-3-one is sourced from PubChem (CID 82442166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).