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

C11H16N6O — CID 6620015

IUPACN-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1cc2nncn2nc1NCCN1CCOCC1
InChIInChI=1S/C11H16N6O/c1-2-11-14-13-9-17(11)15-10(1)12-3-4-16-5-7-18-8-6-16/h1-2,9H,3-8H2,(H,12,15)
InChIKeyJCRHPRKGIJDJAF-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.13
Rot. Bonds4

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

N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 6620015) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID6620015
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC NameN-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1cc2nncn2nc1NCCN1CCOCC1
InChIInChI=1S/C11H16N6O/c1-2-11-14-13-9-17(11)15-10(1)12-3-4-16-5-7-18-8-6-16/h1-2,9H,3-8H2,(H,12,15)
InChIKeyJCRHPRKGIJDJAF-UHFFFAOYSA-N
XLogP-0.13
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 6620015) is N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is c1cc2nncn2nc1NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is JCRHPRKGIJDJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-2-11-14-13-9-17(11)15-10(1)12-3-4-16-5-7-18-8-6-16/h1-2,9H,3-8H2,(H,12,15).
What are the key properties of N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 248.29 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 6620015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).