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

C13H13N7 — CID 7394460

IUPACN-[(E)-1-(4-aminophenyl)ethylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESC/C(=N\Nc1ccc2nncn2n1)c1ccc(N)cc1
InChIInChI=1S/C13H13N7/c1-9(10-2-4-11(14)5-3-10)16-17-12-6-7-13-18-15-8-20(13)19-12/h2-8H,14H2,1H3,(H,17,19)/b16-9+
InChIKeyPYWWLIFUFXKXNV-CXUHLZMHSA-N
MW267.30 g/mol
LogP1.54
Rot. Bonds3

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

N-[(E)-1-(4-aminophenyl)ethylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 7394460) has the molecular formula C13H13N7 and a molecular weight of 267.30 g/mol. Its IUPAC name is N-[(E)-1-(4-aminophenyl)ethylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(E)-1-(4-aminophenyl)ethylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID7394460
Molecular FormulaC13H13N7
Molecular Weight267.30 g/mol
Exact Mass267.12
IUPAC NameN-[(E)-1-(4-aminophenyl)ethylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESC/C(=N\Nc1ccc2nncn2n1)c1ccc(N)cc1
InChIInChI=1S/C13H13N7/c1-9(10-2-4-11(14)5-3-10)16-17-12-6-7-13-18-15-8-20(13)19-12/h2-8H,14H2,1H3,(H,17,19)/b16-9+
InChIKeyPYWWLIFUFXKXNV-CXUHLZMHSA-N
XLogP1.54
TPSA93.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-aminophenyl)ethylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[(E)-1-(4-aminophenyl)ethylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 7394460) is N-[(E)-1-(4-aminophenyl)ethylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[(E)-1-(4-aminophenyl)ethylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[(E)-1-(4-aminophenyl)ethylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is C/C(=N\Nc1ccc2nncn2n1)c1ccc(N)cc1.
What is the InChIKey of N-[(E)-1-(4-aminophenyl)ethylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is PYWWLIFUFXKXNV-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H13N7/c1-9(10-2-4-11(14)5-3-10)16-17-12-6-7-13-18-15-8-20(13)19-12/h2-8H,14H2,1H3,(H,17,19)/b16-9+.
What are the key properties of N-[(E)-1-(4-aminophenyl)ethylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[(E)-1-(4-aminophenyl)ethylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 267.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-aminophenyl)ethylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 7394460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).