N-[(Z)-benzylideneamino]-6-methoxypyridazin-3-amine

C12H12N4O — CID 125488674

IUPACN-[(Z)-benzylideneamino]-6-methoxypyridazin-3-amine
SMILESCOc1ccc(N/N=C\c2ccccc2)nn1
InChIInChI=1S/C12H12N4O/c1-17-12-8-7-11(15-16-12)14-13-9-10-5-3-2-4-6-10/h2-9H,1H3,(H,14,15)/b13-9-
InChIKeyBSCVILNYERBMRD-LCYFTJDESA-N
MW228.25 g/mol
LogP1.93
Rot. Bonds4

About N-[(Z)-benzylideneamino]-6-methoxypyridazin-3-amine

N-[(Z)-benzylideneamino]-6-methoxypyridazin-3-amine (PubChem CID 125488674) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[(Z)-benzylideneamino]-6-methoxypyridazin-3-amine.

Molecular Properties

Compound NameN-[(Z)-benzylideneamino]-6-methoxypyridazin-3-amine
PubChem CID125488674
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC NameN-[(Z)-benzylideneamino]-6-methoxypyridazin-3-amine
SMILESCOc1ccc(N/N=C\c2ccccc2)nn1
InChIInChI=1S/C12H12N4O/c1-17-12-8-7-11(15-16-12)14-13-9-10-5-3-2-4-6-10/h2-9H,1H3,(H,14,15)/b13-9-
InChIKeyBSCVILNYERBMRD-LCYFTJDESA-N
XLogP1.93
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[(Z)-benzylideneamino]-6-methoxypyridazin-3-amine?
The IUPAC name of N-[(Z)-benzylideneamino]-6-methoxypyridazin-3-amine (CID 125488674) is N-[(Z)-benzylideneamino]-6-methoxypyridazin-3-amine.
What is the SMILES notation for N-[(Z)-benzylideneamino]-6-methoxypyridazin-3-amine?
The canonical SMILES for N-[(Z)-benzylideneamino]-6-methoxypyridazin-3-amine is COc1ccc(N/N=C\c2ccccc2)nn1.
What is the InChIKey of N-[(Z)-benzylideneamino]-6-methoxypyridazin-3-amine?
The InChIKey is BSCVILNYERBMRD-LCYFTJDESA-N. The full InChI is InChI=1S/C12H12N4O/c1-17-12-8-7-11(15-16-12)14-13-9-10-5-3-2-4-6-10/h2-9H,1H3,(H,14,15)/b13-9-.
What are the key properties of N-[(Z)-benzylideneamino]-6-methoxypyridazin-3-amine?
N-[(Z)-benzylideneamino]-6-methoxypyridazin-3-amine has a molecular weight of 228.25 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-benzylideneamino]-6-methoxypyridazin-3-amine is sourced from PubChem (CID 125488674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).