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

C6H7ClN4O — CID 13381144

IUPAC5-chloro-4-[methyl-(methylideneamino)amino]-1H-pyridazin-6-one
SMILESC=NN(C)c1cn[nH]c(=O)c1Cl
InChIInChI=1S/C6H7ClN4O/c1-8-11(2)4-3-9-10-6(12)5(4)7/h3H,1H2,2H3,(H,10,12)
InChIKeyJOBYXEQKKRUWRA-UHFFFAOYSA-N
MW186.60 g/mol
LogP0.48
Rot. Bonds2

About 5-chloro-4-[methyl-(methylideneamino)amino]-1H-pyridazin-6-one

5-chloro-4-[methyl-(methylideneamino)amino]-1H-pyridazin-6-one (PubChem CID 13381144) has the molecular formula C6H7ClN4O and a molecular weight of 186.60 g/mol. Its IUPAC name is 5-chloro-4-[methyl-(methylideneamino)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[methyl-(methylideneamino)amino]-1H-pyridazin-6-one
PubChem CID13381144
Molecular FormulaC6H7ClN4O
Molecular Weight186.60 g/mol
Exact Mass186.03
IUPAC Name5-chloro-4-[methyl-(methylideneamino)amino]-1H-pyridazin-6-one
SMILESC=NN(C)c1cn[nH]c(=O)c1Cl
InChIInChI=1S/C6H7ClN4O/c1-8-11(2)4-3-9-10-6(12)5(4)7/h3H,1H2,2H3,(H,10,12)
InChIKeyJOBYXEQKKRUWRA-UHFFFAOYSA-N
XLogP0.48
TPSA61.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 5-chloro-4-[methyl-(methylideneamino)amino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[methyl-(methylideneamino)amino]-1H-pyridazin-6-one (CID 13381144) is 5-chloro-4-[methyl-(methylideneamino)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[methyl-(methylideneamino)amino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[methyl-(methylideneamino)amino]-1H-pyridazin-6-one is C=NN(C)c1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[methyl-(methylideneamino)amino]-1H-pyridazin-6-one?
The InChIKey is JOBYXEQKKRUWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN4O/c1-8-11(2)4-3-9-10-6(12)5(4)7/h3H,1H2,2H3,(H,10,12).
What are the key properties of 5-chloro-4-[methyl-(methylideneamino)amino]-1H-pyridazin-6-one?
5-chloro-4-[methyl-(methylideneamino)amino]-1H-pyridazin-6-one has a molecular weight of 186.60 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[methyl-(methylideneamino)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 13381144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).