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

C14H14N6 — CID 6372108

IUPACN-[(E)-1-phenylpropylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC/C(=N\Nc1ccc2nncn2n1)c1ccccc1
InChIInChI=1S/C14H14N6/c1-2-12(11-6-4-3-5-7-11)16-17-13-8-9-14-18-15-10-20(14)19-13/h3-10H,2H2,1H3,(H,17,19)/b16-12+
InChIKeyQORRFPSATRSPDI-FOWTUZBSSA-N
MW266.31 g/mol
LogP2.35
Rot. Bonds4

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

N-[(E)-1-phenylpropylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 6372108) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is N-[(E)-1-phenylpropylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(E)-1-phenylpropylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID6372108
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC NameN-[(E)-1-phenylpropylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC/C(=N\Nc1ccc2nncn2n1)c1ccccc1
InChIInChI=1S/C14H14N6/c1-2-12(11-6-4-3-5-7-11)16-17-13-8-9-14-18-15-10-20(14)19-13/h3-10H,2H2,1H3,(H,17,19)/b16-12+
InChIKeyQORRFPSATRSPDI-FOWTUZBSSA-N
XLogP2.35
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.35
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-[(E)-1-phenylpropylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[(E)-1-phenylpropylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 6372108) is N-[(E)-1-phenylpropylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[(E)-1-phenylpropylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[(E)-1-phenylpropylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CC/C(=N\Nc1ccc2nncn2n1)c1ccccc1.
What is the InChIKey of N-[(E)-1-phenylpropylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is QORRFPSATRSPDI-FOWTUZBSSA-N. The full InChI is InChI=1S/C14H14N6/c1-2-12(11-6-4-3-5-7-11)16-17-13-8-9-14-18-15-10-20(14)19-13/h3-10H,2H2,1H3,(H,17,19)/b16-12+.
What are the key properties of N-[(E)-1-phenylpropylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[(E)-1-phenylpropylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 266.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-phenylpropylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 6372108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).