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

C15H11N5 — CID 70447996

IUPAC6-naphthalen-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESNc1nnc2ccc(-c3cccc4ccccc34)nn12
InChIInChI=1S/C15H11N5/c16-15-18-17-14-9-8-13(19-20(14)15)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H2,16,18)
InChIKeyQMFSIFOCQRPSBG-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.53
Rot. Bonds1

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

6-naphthalen-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (PubChem CID 70447996) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is 6-naphthalen-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.

Molecular Properties

Compound Name6-naphthalen-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
PubChem CID70447996
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC Name6-naphthalen-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESNc1nnc2ccc(-c3cccc4ccccc34)nn12
InChIInChI=1S/C15H11N5/c16-15-18-17-14-9-8-13(19-20(14)15)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H2,16,18)
InChIKeyQMFSIFOCQRPSBG-UHFFFAOYSA-N
XLogP2.53
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The IUPAC name of 6-naphthalen-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (CID 70447996) is 6-naphthalen-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.
What is the SMILES notation for 6-naphthalen-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The canonical SMILES for 6-naphthalen-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is Nc1nnc2ccc(-c3cccc4ccccc34)nn12.
What is the InChIKey of 6-naphthalen-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The InChIKey is QMFSIFOCQRPSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c16-15-18-17-14-9-8-13(19-20(14)15)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H2,16,18).
What are the key properties of 6-naphthalen-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
6-naphthalen-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine has a molecular weight of 261.29 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is sourced from PubChem (CID 70447996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).