4-[amino(methyl)amino]-1H-pyridazin-6-one

C5H8N4O — CID 13417077

IUPAC4-[amino(methyl)amino]-1H-pyridazin-6-one
SMILESCN(N)c1cn[nH]c(=O)c1
InChIInChI=1S/C5H8N4O/c1-9(6)4-2-5(10)8-7-3-4/h2-3H,6H2,1H3,(H,8,10)
InChIKeyZGNIGUQLCBBYSR-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.92
Rot. Bonds1

About 4-[amino(methyl)amino]-1H-pyridazin-6-one

4-[amino(methyl)amino]-1H-pyridazin-6-one (PubChem CID 13417077) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 4-[amino(methyl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[amino(methyl)amino]-1H-pyridazin-6-one
PubChem CID13417077
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name4-[amino(methyl)amino]-1H-pyridazin-6-one
SMILESCN(N)c1cn[nH]c(=O)c1
InChIInChI=1S/C5H8N4O/c1-9(6)4-2-5(10)8-7-3-4/h2-3H,6H2,1H3,(H,8,10)
InChIKeyZGNIGUQLCBBYSR-UHFFFAOYSA-N
XLogP-0.92
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[amino(methyl)amino]-1H-pyridazin-6-one?
The IUPAC name of 4-[amino(methyl)amino]-1H-pyridazin-6-one (CID 13417077) is 4-[amino(methyl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[amino(methyl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 4-[amino(methyl)amino]-1H-pyridazin-6-one is CN(N)c1cn[nH]c(=O)c1.
What is the InChIKey of 4-[amino(methyl)amino]-1H-pyridazin-6-one?
The InChIKey is ZGNIGUQLCBBYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-9(6)4-2-5(10)8-7-3-4/h2-3H,6H2,1H3,(H,8,10).
What are the key properties of 4-[amino(methyl)amino]-1H-pyridazin-6-one?
4-[amino(methyl)amino]-1H-pyridazin-6-one has a molecular weight of 140.15 g/mol, XLogP of -0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(methyl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 13417077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).