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

C11H9ClN4 — CID 6413765

IUPACN-[(Z)-benzylideneamino]-6-chloropyridazin-3-amine
SMILESClc1ccc(N/N=C\c2ccccc2)nn1
InChIInChI=1S/C11H9ClN4/c12-10-6-7-11(16-14-10)15-13-8-9-4-2-1-3-5-9/h1-8H,(H,15,16)/b13-8-
InChIKeyFQBCKWYSLBKCTR-JYRVWZFOSA-N
MW232.67 g/mol
LogP2.58
Rot. Bonds3

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

N-[(Z)-benzylideneamino]-6-chloropyridazin-3-amine (PubChem CID 6413765) has the molecular formula C11H9ClN4 and a molecular weight of 232.67 g/mol. Its IUPAC name is N-[(Z)-benzylideneamino]-6-chloropyridazin-3-amine.

Molecular Properties

Compound NameN-[(Z)-benzylideneamino]-6-chloropyridazin-3-amine
PubChem CID6413765
Molecular FormulaC11H9ClN4
Molecular Weight232.67 g/mol
Exact Mass232.05
IUPAC NameN-[(Z)-benzylideneamino]-6-chloropyridazin-3-amine
SMILESClc1ccc(N/N=C\c2ccccc2)nn1
InChIInChI=1S/C11H9ClN4/c12-10-6-7-11(16-14-10)15-13-8-9-4-2-1-3-5-9/h1-8H,(H,15,16)/b13-8-
InChIKeyFQBCKWYSLBKCTR-JYRVWZFOSA-N
XLogP2.58
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.58
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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Related Compounds

4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol
CID 135518631
3-[(Z)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol
CID 6413627
N-[(E)-benzylideneamino]-6-methoxypyridazin-3-amine
CID 139215659
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-6-chloropyridazin-3-amine
CID 6845161
N-[(Z)-anthracen-9-ylmethylideneamino]-6-chloropyridazin-3-amine
CID 6411904
6-phenyl-N-[(4-propan-2-ylphenyl)methylideneamino]pyridazin-3-amine
CID 172991352
N-[(Z)-benzylideneamino]-5-bromopyridin-2-amine
CID 70641725
4-(benzylideneamino)-N-(6-chloropyridazin-3-yl)benzenesulfonamide
CID 564221
6-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-5-phenylpyridazin-3-amine
CID 139227329
N-[(E)-benzylideneamino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 170856257
N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine
CID 3937895
N-(benzylideneamino)isoquinolin-3-amine
CID 85439372

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-benzylideneamino]-6-chloropyridazin-3-amine?
The IUPAC name of N-[(Z)-benzylideneamino]-6-chloropyridazin-3-amine (CID 6413765) is N-[(Z)-benzylideneamino]-6-chloropyridazin-3-amine.
What is the SMILES notation for N-[(Z)-benzylideneamino]-6-chloropyridazin-3-amine?
The canonical SMILES for N-[(Z)-benzylideneamino]-6-chloropyridazin-3-amine is Clc1ccc(N/N=C\c2ccccc2)nn1.
What is the InChIKey of N-[(Z)-benzylideneamino]-6-chloropyridazin-3-amine?
The InChIKey is FQBCKWYSLBKCTR-JYRVWZFOSA-N. The full InChI is InChI=1S/C11H9ClN4/c12-10-6-7-11(16-14-10)15-13-8-9-4-2-1-3-5-9/h1-8H,(H,15,16)/b13-8-.
What are the key properties of N-[(Z)-benzylideneamino]-6-chloropyridazin-3-amine?
N-[(Z)-benzylideneamino]-6-chloropyridazin-3-amine has a molecular weight of 232.67 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-benzylideneamino]-6-chloropyridazin-3-amine is sourced from PubChem (CID 6413765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).