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

C12H12N4O — CID 139215659

IUPACN-[(E)-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-UKTHLTGXSA-N
MW228.25 g/mol
LogP1.93
Rot. Bonds4

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

N-[(E)-benzylideneamino]-6-methoxypyridazin-3-amine (PubChem CID 139215659) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-6-methoxypyridazin-3-amine.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-6-methoxypyridazin-3-amine
PubChem CID139215659
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC NameN-[(E)-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-UKTHLTGXSA-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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Related Compounds

N-[(Z)-benzylideneamino]-6-chloropyridazin-3-amine
CID 6413765
N-(benzylideneamino)-6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-amine
CID 70543671
6-phenyl-N-[(4-propan-2-ylphenyl)methylideneamino]pyridazin-3-amine
CID 172991352
N-[(E)-benzylideneamino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 170856257
N-[(Z)-benzylideneamino]-5-bromopyridin-2-amine
CID 70641725
3-[(Z)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol
CID 6413627
N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine
CID 3937895
N-(benzylideneamino)isoquinolin-3-amine
CID 85439372
2-N,4-N-bis[(4-methoxyphenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine
CID 139976229
3-methoxy-5-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 135982526
4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol
CID 135518631
(6-methoxypyridazin-3-yl)carbamic acid
CID 68896091

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-6-methoxypyridazin-3-amine?
The IUPAC name of N-[(E)-benzylideneamino]-6-methoxypyridazin-3-amine (CID 139215659) is N-[(E)-benzylideneamino]-6-methoxypyridazin-3-amine.
What is the SMILES notation for N-[(E)-benzylideneamino]-6-methoxypyridazin-3-amine?
The canonical SMILES for N-[(E)-benzylideneamino]-6-methoxypyridazin-3-amine is COc1ccc(N/N=C/c2ccccc2)nn1.
What is the InChIKey of N-[(E)-benzylideneamino]-6-methoxypyridazin-3-amine?
The InChIKey is BSCVILNYERBMRD-UKTHLTGXSA-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-[(E)-benzylideneamino]-6-methoxypyridazin-3-amine?
N-[(E)-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-[(E)-benzylideneamino]-6-methoxypyridazin-3-amine is sourced from PubChem (CID 139215659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).