2-(4-aminobutan-2-yl)pyridazin-3-one

C8H13N3O — CID 122239473

IUPAC2-(4-aminobutan-2-yl)pyridazin-3-one
SMILESCC(CCN)n1ncccc1=O
InChIInChI=1S/C8H13N3O/c1-7(4-5-9)11-8(12)3-2-6-10-11/h2-3,6-7H,4-5,9H2,1H3
InChIKeyCQBZDAWTYMMTQR-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.15
Rot. Bonds3

About 2-(4-aminobutan-2-yl)pyridazin-3-one

2-(4-aminobutan-2-yl)pyridazin-3-one (PubChem CID 122239473) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(4-aminobutan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-aminobutan-2-yl)pyridazin-3-one
PubChem CID122239473
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(4-aminobutan-2-yl)pyridazin-3-one
SMILESCC(CCN)n1ncccc1=O
InChIInChI=1S/C8H13N3O/c1-7(4-5-9)11-8(12)3-2-6-10-11/h2-3,6-7H,4-5,9H2,1H3
InChIKeyCQBZDAWTYMMTQR-UHFFFAOYSA-N
XLogP0.15
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutan-2-yl)pyridazin-3-one?
The IUPAC name of 2-(4-aminobutan-2-yl)pyridazin-3-one (CID 122239473) is 2-(4-aminobutan-2-yl)pyridazin-3-one.
What is the SMILES notation for 2-(4-aminobutan-2-yl)pyridazin-3-one?
The canonical SMILES for 2-(4-aminobutan-2-yl)pyridazin-3-one is CC(CCN)n1ncccc1=O.
What is the InChIKey of 2-(4-aminobutan-2-yl)pyridazin-3-one?
The InChIKey is CQBZDAWTYMMTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-7(4-5-9)11-8(12)3-2-6-10-11/h2-3,6-7H,4-5,9H2,1H3.
What are the key properties of 2-(4-aminobutan-2-yl)pyridazin-3-one?
2-(4-aminobutan-2-yl)pyridazin-3-one has a molecular weight of 167.21 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutan-2-yl)pyridazin-3-one is sourced from PubChem (CID 122239473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).