N-[(4-fluorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C12H9FN6 — CID 4072476

IUPACN-[(4-fluorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFc1ccc(C=NNc2ccc3nncn3n2)cc1
InChIInChI=1S/C12H9FN6/c13-10-3-1-9(2-4-10)7-14-16-11-5-6-12-17-15-8-19(12)18-11/h1-8H,(H,16,18)
InChIKeyOXTSXBXSNSADST-UHFFFAOYSA-N
MW256.24 g/mol
LogP1.71
Rot. Bonds3

About N-[(4-fluorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[(4-fluorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 4072476) has the molecular formula C12H9FN6 and a molecular weight of 256.24 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID4072476
Molecular FormulaC12H9FN6
Molecular Weight256.24 g/mol
Exact Mass256.09
IUPAC NameN-[(4-fluorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFc1ccc(C=NNc2ccc3nncn3n2)cc1
InChIInChI=1S/C12H9FN6/c13-10-3-1-9(2-4-10)7-14-16-11-5-6-12-17-15-8-19(12)18-11/h1-8H,(H,16,18)
InChIKeyOXTSXBXSNSADST-UHFFFAOYSA-N
XLogP1.71
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(E)-([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazinylidene)methyl]benzene-1,3-diol
CID 135607936
N-[(5-nitrofuran-2-yl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 4702631
N-(cyclooctylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 940459
N-[(E)-benzylideneamino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 170856257
2,3,4,5,6-pentafluoro-N-[(E)-(4-fluorophenyl)methylideneamino]aniline
CID 14933363
N-(4-fluorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide
CID 51044562
3-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135454364
N-[(E)-1-(4-aminophenyl)ethylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 7394460
N-[1-(4-bromophenyl)ethylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 3786194
N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)ethane-1,2-diamine
CID 125425135
N-[(E)-1-phenylpropylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 6372108
N,N-diethyl-6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 4849554

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[(4-fluorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 4072476) is N-[(4-fluorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[(4-fluorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Fc1ccc(C=NNc2ccc3nncn3n2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is OXTSXBXSNSADST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN6/c13-10-3-1-9(2-4-10)7-14-16-11-5-6-12-17-15-8-19(12)18-11/h1-8H,(H,16,18).
What are the key properties of N-[(4-fluorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[(4-fluorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 256.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 4072476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).