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

C12H11N7 — CID 3810523

IUPACN-(1-pyridin-2-ylethylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(=NNc1ccc2nncn2n1)c1ccccn1
InChIInChI=1S/C12H11N7/c1-9(10-4-2-3-7-13-10)15-16-11-5-6-12-17-14-8-19(12)18-11/h2-8H,1H3,(H,16,18)
InChIKeyNPSXXNUFHOMKDH-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.36
Rot. Bonds3

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

N-(1-pyridin-2-ylethylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 3810523) has the molecular formula C12H11N7 and a molecular weight of 253.27 g/mol. Its IUPAC name is N-(1-pyridin-2-ylethylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(1-pyridin-2-ylethylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID3810523
Molecular FormulaC12H11N7
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC NameN-(1-pyridin-2-ylethylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(=NNc1ccc2nncn2n1)c1ccccn1
InChIInChI=1S/C12H11N7/c1-9(10-4-2-3-7-13-10)15-16-11-5-6-12-17-14-8-19(12)18-11/h2-8H,1H3,(H,16,18)
InChIKeyNPSXXNUFHOMKDH-UHFFFAOYSA-N
XLogP1.36
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(1-pyridin-2-ylethylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(1-pyridin-2-ylethylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 3810523) is N-(1-pyridin-2-ylethylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(1-pyridin-2-ylethylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(1-pyridin-2-ylethylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CC(=NNc1ccc2nncn2n1)c1ccccn1.
What is the InChIKey of N-(1-pyridin-2-ylethylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is NPSXXNUFHOMKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7/c1-9(10-4-2-3-7-13-10)15-16-11-5-6-12-17-14-8-19(12)18-11/h2-8H,1H3,(H,16,18).
What are the key properties of N-(1-pyridin-2-ylethylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(1-pyridin-2-ylethylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 253.27 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylethylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 3810523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).