5-(aminomethyl)-1H-pyridazin-6-one

C5H7N3O — CID 55285530

IUPAC5-(aminomethyl)-1H-pyridazin-6-one
SMILESNCc1ccn[nH]c1=O
InChIInChI=1S/C5H7N3O/c6-3-4-1-2-7-8-5(4)9/h1-2H,3,6H2,(H,8,9)
InChIKeyBQAXKQNNNXIZQG-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.77
Rot. Bonds1

About 5-(aminomethyl)-1H-pyridazin-6-one

5-(aminomethyl)-1H-pyridazin-6-one (PubChem CID 55285530) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 5-(aminomethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-1H-pyridazin-6-one
PubChem CID55285530
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name5-(aminomethyl)-1H-pyridazin-6-one
SMILESNCc1ccn[nH]c1=O
InChIInChI=1S/C5H7N3O/c6-3-4-1-2-7-8-5(4)9/h1-2H,3,6H2,(H,8,9)
InChIKeyBQAXKQNNNXIZQG-UHFFFAOYSA-N
XLogP-0.77
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1H-pyridazin-6-one?
The IUPAC name of 5-(aminomethyl)-1H-pyridazin-6-one (CID 55285530) is 5-(aminomethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-(aminomethyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-(aminomethyl)-1H-pyridazin-6-one is NCc1ccn[nH]c1=O.
What is the InChIKey of 5-(aminomethyl)-1H-pyridazin-6-one?
The InChIKey is BQAXKQNNNXIZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c6-3-4-1-2-7-8-5(4)9/h1-2H,3,6H2,(H,8,9).
What are the key properties of 5-(aminomethyl)-1H-pyridazin-6-one?
5-(aminomethyl)-1H-pyridazin-6-one has a molecular weight of 125.13 g/mol, XLogP of -0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 55285530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).