6-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

C12H18N6O — CID 90671738

IUPAC6-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCc1cc(NCCN2CCOCC2)c2nncn2n1
InChIInChI=1S/C12H18N6O/c1-10-8-11(12-15-14-9-18(12)16-10)13-2-3-17-4-6-19-7-5-17/h8-9,13H,2-7H2,1H3
InChIKeyUWHYWQKATRWHNN-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.18
Rot. Bonds4

About 6-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

6-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 90671738) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 6-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID90671738
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name6-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCc1cc(NCCN2CCOCC2)c2nncn2n1
InChIInChI=1S/C12H18N6O/c1-10-8-11(12-15-14-9-18(12)16-10)13-2-3-17-4-6-19-7-5-17/h8-9,13H,2-7H2,1H3
InChIKeyUWHYWQKATRWHNN-UHFFFAOYSA-N
XLogP0.18
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of 6-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 90671738) is 6-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for 6-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for 6-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is Cc1cc(NCCN2CCOCC2)c2nncn2n1.
What is the InChIKey of 6-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is UWHYWQKATRWHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-10-8-11(12-15-14-9-18(12)16-10)13-2-3-17-4-6-19-7-5-17/h8-9,13H,2-7H2,1H3.
What are the key properties of 6-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
6-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 262.32 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 90671738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).