6-(aminomethyl)-2-methylpyridazin-3-one

C6H9N3O — CID 82442096

IUPAC6-(aminomethyl)-2-methylpyridazin-3-one
SMILESCn1nc(CN)ccc1=O
InChIInChI=1S/C6H9N3O/c1-9-6(10)3-2-5(4-7)8-9/h2-3H,4,7H2,1H3
InChIKeyWUQXLIJTTFGZMZ-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.76
Rot. Bonds1

About 6-(aminomethyl)-2-methylpyridazin-3-one

6-(aminomethyl)-2-methylpyridazin-3-one (PubChem CID 82442096) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 6-(aminomethyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(aminomethyl)-2-methylpyridazin-3-one
PubChem CID82442096
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name6-(aminomethyl)-2-methylpyridazin-3-one
SMILESCn1nc(CN)ccc1=O
InChIInChI=1S/C6H9N3O/c1-9-6(10)3-2-5(4-7)8-9/h2-3H,4,7H2,1H3
InChIKeyWUQXLIJTTFGZMZ-UHFFFAOYSA-N
XLogP-0.76
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(aminomethyl)-2-methylpyridazin-3-one (CID 82442096) is 6-(aminomethyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(aminomethyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(aminomethyl)-2-methylpyridazin-3-one is Cn1nc(CN)ccc1=O.
What is the InChIKey of 6-(aminomethyl)-2-methylpyridazin-3-one?
The InChIKey is WUQXLIJTTFGZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-9-6(10)3-2-5(4-7)8-9/h2-3H,4,7H2,1H3.
What are the key properties of 6-(aminomethyl)-2-methylpyridazin-3-one?
6-(aminomethyl)-2-methylpyridazin-3-one has a molecular weight of 139.16 g/mol, XLogP of -0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 82442096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).