4-[[(Z)-benzylideneamino]-methylamino]-1H-pyridazin-6-one

C12H12N4O — CID 74890577

IUPAC4-[[(Z)-benzylideneamino]-methylamino]-1H-pyridazin-6-one
SMILESCN(/N=C\c1ccccc1)c1cn[nH]c(=O)c1
InChIInChI=1S/C12H12N4O/c1-16(11-7-12(17)15-13-9-11)14-8-10-5-3-2-4-6-10/h2-9H,1H3,(H,15,17)/b14-8-
InChIKeyCTGDOGPKSFBVDA-ZSOIEALJSA-N
MW228.26 g/mol
LogP1.24
Rot. Bonds3

About 4-[[(Z)-benzylideneamino]-methylamino]-1H-pyridazin-6-one

4-[[(Z)-benzylideneamino]-methylamino]-1H-pyridazin-6-one (PubChem CID 74890577) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 4-[[(Z)-benzylideneamino]-methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[[(Z)-benzylideneamino]-methylamino]-1H-pyridazin-6-one
PubChem CID74890577
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name4-[[(Z)-benzylideneamino]-methylamino]-1H-pyridazin-6-one
SMILESCN(/N=C\c1ccccc1)c1cn[nH]c(=O)c1
InChIInChI=1S/C12H12N4O/c1-16(11-7-12(17)15-13-9-11)14-8-10-5-3-2-4-6-10/h2-9H,1H3,(H,15,17)/b14-8-
InChIKeyCTGDOGPKSFBVDA-ZSOIEALJSA-N
XLogP1.24
TPSA61.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.24
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 4-[[(Z)-benzylideneamino]-methylamino]-1H-pyridazin-6-one?
The IUPAC name of 4-[[(Z)-benzylideneamino]-methylamino]-1H-pyridazin-6-one (CID 74890577) is 4-[[(Z)-benzylideneamino]-methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[[(Z)-benzylideneamino]-methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 4-[[(Z)-benzylideneamino]-methylamino]-1H-pyridazin-6-one is CN(/N=C\c1ccccc1)c1cn[nH]c(=O)c1.
What is the InChIKey of 4-[[(Z)-benzylideneamino]-methylamino]-1H-pyridazin-6-one?
The InChIKey is CTGDOGPKSFBVDA-ZSOIEALJSA-N. The full InChI is InChI=1S/C12H12N4O/c1-16(11-7-12(17)15-13-9-11)14-8-10-5-3-2-4-6-10/h2-9H,1H3,(H,15,17)/b14-8-.
What are the key properties of 4-[[(Z)-benzylideneamino]-methylamino]-1H-pyridazin-6-one?
4-[[(Z)-benzylideneamino]-methylamino]-1H-pyridazin-6-one has a molecular weight of 228.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(Z)-benzylideneamino]-methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 74890577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).