N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C15H24N6O — CID 60520890

IUPACN-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(NCCCN3CC(C)OC(C)C3)nn12
InChIInChI=1S/C15H24N6O/c1-11-9-20(10-12(2)22-11)8-4-7-16-14-5-6-15-18-17-13(3)21(15)19-14/h5-6,11-12H,4,7-10H2,1-3H3,(H,16,19)
InChIKeyACWZEPOUFNSGPV-UHFFFAOYSA-N
MW304.40 g/mol
LogP1.34
Rot. Bonds5

About N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 60520890) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID60520890
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC NameN-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(NCCCN3CC(C)OC(C)C3)nn12
InChIInChI=1S/C15H24N6O/c1-11-9-20(10-12(2)22-11)8-4-7-16-14-5-6-15-18-17-13(3)21(15)19-14/h5-6,11-12H,4,7-10H2,1-3H3,(H,16,19)
InChIKeyACWZEPOUFNSGPV-UHFFFAOYSA-N
XLogP1.34
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 60520890) is N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1nnc2ccc(NCCCN3CC(C)OC(C)C3)nn12.
What is the InChIKey of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is ACWZEPOUFNSGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-11-9-20(10-12(2)22-11)8-4-7-16-14-5-6-15-18-17-13(3)21(15)19-14/h5-6,11-12H,4,7-10H2,1-3H3,(H,16,19).
What are the key properties of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 304.40 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 60520890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).