5-amino-2-methyl-1H-pyridazine-3,6-dione

C5H7N3O2 — CID 55289845

IUPAC5-amino-2-methyl-1H-pyridazine-3,6-dione
SMILESCn1[nH]c(=O)c(N)cc1=O
InChIInChI=1S/C5H7N3O2/c1-8-4(9)2-3(6)5(10)7-8/h2H,6H2,1H3,(H,7,10)
InChIKeyCCEYAOYPLFUROF-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.34
Rot. Bonds

About 5-amino-2-methyl-1H-pyridazine-3,6-dione

5-amino-2-methyl-1H-pyridazine-3,6-dione (PubChem CID 55289845) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 5-amino-2-methyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name5-amino-2-methyl-1H-pyridazine-3,6-dione
PubChem CID55289845
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name5-amino-2-methyl-1H-pyridazine-3,6-dione
SMILESCn1[nH]c(=O)c(N)cc1=O
InChIInChI=1S/C5H7N3O2/c1-8-4(9)2-3(6)5(10)7-8/h2H,6H2,1H3,(H,7,10)
InChIKeyCCEYAOYPLFUROF-UHFFFAOYSA-N
XLogP-1.34
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-1H-pyridazine-3,6-dione?
The IUPAC name of 5-amino-2-methyl-1H-pyridazine-3,6-dione (CID 55289845) is 5-amino-2-methyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 5-amino-2-methyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 5-amino-2-methyl-1H-pyridazine-3,6-dione is Cn1[nH]c(=O)c(N)cc1=O.
What is the InChIKey of 5-amino-2-methyl-1H-pyridazine-3,6-dione?
The InChIKey is CCEYAOYPLFUROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-8-4(9)2-3(6)5(10)7-8/h2H,6H2,1H3,(H,7,10).
What are the key properties of 5-amino-2-methyl-1H-pyridazine-3,6-dione?
5-amino-2-methyl-1H-pyridazine-3,6-dione has a molecular weight of 141.13 g/mol, XLogP of -1.34, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 55289845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).