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

C13H18N6 — CID 940459

IUPACN-(cyclooctylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1cc2nncn2nc1NN=C1CCCCCCC1
InChIInChI=1S/C13H18N6/c1-2-4-6-11(7-5-3-1)15-16-12-8-9-13-17-14-10-19(13)18-12/h8-10H,1-7H2,(H,16,18)
InChIKeyOTFGPNAZIQKEQR-UHFFFAOYSA-N
MW258.33 g/mol
LogP2.64
Rot. Bonds2

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

N-(cyclooctylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 940459) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is N-(cyclooctylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(cyclooctylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID940459
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC NameN-(cyclooctylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1cc2nncn2nc1NN=C1CCCCCCC1
InChIInChI=1S/C13H18N6/c1-2-4-6-11(7-5-3-1)15-16-12-8-9-13-17-14-10-19(13)18-12/h8-10H,1-7H2,(H,16,18)
InChIKeyOTFGPNAZIQKEQR-UHFFFAOYSA-N
XLogP2.64
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 52.64
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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Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(cyclooctylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 940459) is N-(cyclooctylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(cyclooctylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(cyclooctylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is c1cc2nncn2nc1NN=C1CCCCCCC1.
What is the InChIKey of N-(cyclooctylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is OTFGPNAZIQKEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-2-4-6-11(7-5-3-1)15-16-12-8-9-13-17-14-10-19(13)18-12/h8-10H,1-7H2,(H,16,18).
What are the key properties of N-(cyclooctylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(cyclooctylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 258.33 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 940459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).