N-(azetidin-3-yl)-3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C19H19N7 — CID 71148156

IUPACN-(azetidin-3-yl)-3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(c1ccc2ncccc2c1)c1nnc2ccc(NC3CNC3)nn12
InChIInChI=1S/C19H19N7/c1-12(13-4-5-16-14(9-13)3-2-8-21-16)19-24-23-18-7-6-17(25-26(18)19)22-15-10-20-11-15/h2-9,12,15,20H,10-11H2,1H3,(H,22,25)
InChIKeyQUTQJKVMDWLNMB-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.21
Rot. Bonds4

About N-(azetidin-3-yl)-3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-(azetidin-3-yl)-3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 71148156) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-(azetidin-3-yl)-3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID71148156
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC NameN-(azetidin-3-yl)-3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(c1ccc2ncccc2c1)c1nnc2ccc(NC3CNC3)nn12
InChIInChI=1S/C19H19N7/c1-12(13-4-5-16-14(9-13)3-2-8-21-16)19-24-23-18-7-6-17(25-26(18)19)22-15-10-20-11-15/h2-9,12,15,20H,10-11H2,1H3,(H,22,25)
InChIKeyQUTQJKVMDWLNMB-UHFFFAOYSA-N
XLogP2.21
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(azetidin-3-yl)-3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 71148156) is N-(azetidin-3-yl)-3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(azetidin-3-yl)-3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(azetidin-3-yl)-3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CC(c1ccc2ncccc2c1)c1nnc2ccc(NC3CNC3)nn12.
What is the InChIKey of N-(azetidin-3-yl)-3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is QUTQJKVMDWLNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7/c1-12(13-4-5-16-14(9-13)3-2-8-21-16)19-24-23-18-7-6-17(25-26(18)19)22-15-10-20-11-15/h2-9,12,15,20H,10-11H2,1H3,(H,22,25).
What are the key properties of N-(azetidin-3-yl)-3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(azetidin-3-yl)-3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 345.41 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 71148156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).