6-amino-2-(2-pyrazol-1-ylethyl)pyridazin-3-one

C9H11N5O — CID 116788167

IUPAC6-amino-2-(2-pyrazol-1-ylethyl)pyridazin-3-one
SMILESNc1ccc(=O)n(CCn2cccn2)n1
InChIInChI=1S/C9H11N5O/c10-8-2-3-9(15)14(12-8)7-6-13-5-1-4-11-13/h1-5H,6-7H2,(H2,10,12)
InChIKeyKOPWBBYGVOXOLM-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.28
Rot. Bonds3

About 6-amino-2-(2-pyrazol-1-ylethyl)pyridazin-3-one

6-amino-2-(2-pyrazol-1-ylethyl)pyridazin-3-one (PubChem CID 116788167) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 6-amino-2-(2-pyrazol-1-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-(2-pyrazol-1-ylethyl)pyridazin-3-one
PubChem CID116788167
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name6-amino-2-(2-pyrazol-1-ylethyl)pyridazin-3-one
SMILESNc1ccc(=O)n(CCn2cccn2)n1
InChIInChI=1S/C9H11N5O/c10-8-2-3-9(15)14(12-8)7-6-13-5-1-4-11-13/h1-5H,6-7H2,(H2,10,12)
InChIKeyKOPWBBYGVOXOLM-UHFFFAOYSA-N
XLogP-0.28
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-pyrazol-1-ylethyl)pyridazin-3-one?
The IUPAC name of 6-amino-2-(2-pyrazol-1-ylethyl)pyridazin-3-one (CID 116788167) is 6-amino-2-(2-pyrazol-1-ylethyl)pyridazin-3-one.
What is the SMILES notation for 6-amino-2-(2-pyrazol-1-ylethyl)pyridazin-3-one?
The canonical SMILES for 6-amino-2-(2-pyrazol-1-ylethyl)pyridazin-3-one is Nc1ccc(=O)n(CCn2cccn2)n1.
What is the InChIKey of 6-amino-2-(2-pyrazol-1-ylethyl)pyridazin-3-one?
The InChIKey is KOPWBBYGVOXOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c10-8-2-3-9(15)14(12-8)7-6-13-5-1-4-11-13/h1-5H,6-7H2,(H2,10,12).
What are the key properties of 6-amino-2-(2-pyrazol-1-ylethyl)pyridazin-3-one?
6-amino-2-(2-pyrazol-1-ylethyl)pyridazin-3-one has a molecular weight of 205.22 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-pyrazol-1-ylethyl)pyridazin-3-one is sourced from PubChem (CID 116788167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).