5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)benzene-1,3-diamine

C11H10N6 — CID 114003761

IUPAC5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)benzene-1,3-diamine
SMILESNc1cc(N)cc(-c2nnc3cccnn23)c1
InChIInChI=1S/C11H10N6/c12-8-4-7(5-9(13)6-8)11-16-15-10-2-1-3-14-17(10)11/h1-6H,12-13H2
InChIKeyBCWNMWNSQCCIAD-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.96
Rot. Bonds1

About 5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)benzene-1,3-diamine

5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)benzene-1,3-diamine (PubChem CID 114003761) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)benzene-1,3-diamine
PubChem CID114003761
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)benzene-1,3-diamine
SMILESNc1cc(N)cc(-c2nnc3cccnn23)c1
InChIInChI=1S/C11H10N6/c12-8-4-7(5-9(13)6-8)11-16-15-10-2-1-3-14-17(10)11/h1-6H,12-13H2
InChIKeyBCWNMWNSQCCIAD-UHFFFAOYSA-N
XLogP0.96
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)benzene-1,3-diamine?
The IUPAC name of 5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)benzene-1,3-diamine (CID 114003761) is 5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)benzene-1,3-diamine.
What is the SMILES notation for 5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)benzene-1,3-diamine?
The canonical SMILES for 5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)benzene-1,3-diamine is Nc1cc(N)cc(-c2nnc3cccnn23)c1.
What is the InChIKey of 5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)benzene-1,3-diamine?
The InChIKey is BCWNMWNSQCCIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c12-8-4-7(5-9(13)6-8)11-16-15-10-2-1-3-14-17(10)11/h1-6H,12-13H2.
What are the key properties of 5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)benzene-1,3-diamine?
5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)benzene-1,3-diamine has a molecular weight of 226.24 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)benzene-1,3-diamine is sourced from PubChem (CID 114003761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).