N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-chloropyridazin-3-amine

C12H12ClN5 — CID 29225172

IUPACN-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-chloropyridazin-3-amine
SMILESC/C(=N/Nc1ccc(Cl)nn1)c1cccc(N)c1
InChIInChI=1S/C12H12ClN5/c1-8(9-3-2-4-10(14)7-9)15-17-12-6-5-11(13)16-18-12/h2-7H,14H2,1H3,(H,17,18)/b15-8-
InChIKeyYMXOTNLTPOEEDL-NVNXTCNLSA-N
MW261.72 g/mol
LogP2.55
Rot. Bonds3

About N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-chloropyridazin-3-amine

N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-chloropyridazin-3-amine (PubChem CID 29225172) has the molecular formula C12H12ClN5 and a molecular weight of 261.72 g/mol. Its IUPAC name is N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-chloropyridazin-3-amine.

Molecular Properties

Compound NameN-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-chloropyridazin-3-amine
PubChem CID29225172
Molecular FormulaC12H12ClN5
Molecular Weight261.72 g/mol
Exact Mass261.08
IUPAC NameN-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-chloropyridazin-3-amine
SMILESC/C(=N/Nc1ccc(Cl)nn1)c1cccc(N)c1
InChIInChI=1S/C12H12ClN5/c1-8(9-3-2-4-10(14)7-9)15-17-12-6-5-11(13)16-18-12/h2-7H,14H2,1H3,(H,17,18)/b15-8-
InChIKeyYMXOTNLTPOEEDL-NVNXTCNLSA-N
XLogP2.55
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[1-(3-fluoro-4-phenoxyphenyl)ethylideneamino]pyridazin-3-amine
CID 71890771
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-7-chloroquinolin-4-amine
CID 9076910
N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide
CID 19685958
N-[1-(3-aminophenyl)ethylideneamino]-6-methoxy-2-phenylpyrimidin-4-amine
CID 3099348
4-[(2Z)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzoic acid
CID 9013147
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide
CID 5416580
4-[(2E)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 18282586
4-amino-N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3,5,6-trichloropyridine-2-carboxamide
CID 9214641
3-[(E)-N-methoxy-C-methylcarbonimidoyl]aniline
CID 83525120
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 7966290
N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide
CID 922383
N-[1-(3-aminophenyl)ethylideneamino]-2-nitrobenzamide
CID 769756

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-chloropyridazin-3-amine?
The IUPAC name of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-chloropyridazin-3-amine (CID 29225172) is N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-chloropyridazin-3-amine.
What is the SMILES notation for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-chloropyridazin-3-amine?
The canonical SMILES for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-chloropyridazin-3-amine is C/C(=N/Nc1ccc(Cl)nn1)c1cccc(N)c1.
What is the InChIKey of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-chloropyridazin-3-amine?
The InChIKey is YMXOTNLTPOEEDL-NVNXTCNLSA-N. The full InChI is InChI=1S/C12H12ClN5/c1-8(9-3-2-4-10(14)7-9)15-17-12-6-5-11(13)16-18-12/h2-7H,14H2,1H3,(H,17,18)/b15-8-.
What are the key properties of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-chloropyridazin-3-amine?
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-chloropyridazin-3-amine has a molecular weight of 261.72 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-chloropyridazin-3-amine is sourced from PubChem (CID 29225172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).