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

C19H23FN6O — CID 126768636

IUPACN-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC1(C)CN(CCNc2ccc3nnc(-c4ccccc4F)n3n2)CCO1
InChIInChI=1S/C19H23FN6O/c1-19(2)13-25(11-12-27-19)10-9-21-16-7-8-17-22-23-18(26(17)24-16)14-5-3-4-6-15(14)20/h3-8H,9-13H2,1-2H3,(H,21,24)
InChIKeyOECRUXNQVIQGNL-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.45
Rot. Bonds5

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

N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 126768636) has the molecular formula C19H23FN6O and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID126768636
Molecular FormulaC19H23FN6O
Molecular Weight370.43 g/mol
Exact Mass370.19
IUPAC NameN-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC1(C)CN(CCNc2ccc3nnc(-c4ccccc4F)n3n2)CCO1
InChIInChI=1S/C19H23FN6O/c1-19(2)13-25(11-12-27-19)10-9-21-16-7-8-17-22-23-18(26(17)24-16)14-5-3-4-6-15(14)20/h3-8H,9-13H2,1-2H3,(H,21,24)
InChIKeyOECRUXNQVIQGNL-UHFFFAOYSA-N
XLogP2.45
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 126768636) is N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CC1(C)CN(CCNc2ccc3nnc(-c4ccccc4F)n3n2)CCO1.
What is the InChIKey of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is OECRUXNQVIQGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O/c1-19(2)13-25(11-12-27-19)10-9-21-16-7-8-17-22-23-18(26(17)24-16)14-5-3-4-6-15(14)20/h3-8H,9-13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 370.43 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 126768636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).