6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

C10H8N6 — CID 70450160

IUPAC6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESNc1nnc2ccc(-c3ccncc3)nn12
InChIInChI=1S/C10H8N6/c11-10-14-13-9-2-1-8(15-16(9)10)7-3-5-12-6-4-7/h1-6H,(H2,11,14)
InChIKeyJDWCNSLLTCFOFR-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.77
Rot. Bonds1

About 6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (PubChem CID 70450160) has the molecular formula C10H8N6 and a molecular weight of 212.22 g/mol. Its IUPAC name is 6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.

Molecular Properties

Compound Name6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
PubChem CID70450160
Molecular FormulaC10H8N6
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESNc1nnc2ccc(-c3ccncc3)nn12
InChIInChI=1S/C10H8N6/c11-10-14-13-9-2-1-8(15-16(9)10)7-3-5-12-6-4-7/h1-6H,(H2,11,14)
InChIKeyJDWCNSLLTCFOFR-UHFFFAOYSA-N
XLogP0.77
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The IUPAC name of 6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (CID 70450160) is 6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.
What is the SMILES notation for 6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The canonical SMILES for 6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is Nc1nnc2ccc(-c3ccncc3)nn12.
What is the InChIKey of 6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The InChIKey is JDWCNSLLTCFOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6/c11-10-14-13-9-2-1-8(15-16(9)10)7-3-5-12-6-4-7/h1-6H,(H2,11,14).
What are the key properties of 6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine has a molecular weight of 212.22 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is sourced from PubChem (CID 70450160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).