N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,7,8-trimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C15H17F3N6O — CID 133367961

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,7,8-trimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1noc(C)c1CN(C)c1nn2c(C(F)(F)F)nnc2c(C)c1C
InChIInChI=1S/C15H17F3N6O/c1-7-8(2)13(23(5)6-11-9(3)22-25-10(11)4)21-24-12(7)19-20-14(24)15(16,17)18/h6H2,1-5H3
InChIKeyFRLWIBMMBCEEHQ-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.00
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,7,8-trimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,7,8-trimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133367961) has the molecular formula C15H17F3N6O and a molecular weight of 354.34 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,7,8-trimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,7,8-trimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133367961
Molecular FormulaC15H17F3N6O
Molecular Weight354.34 g/mol
Exact Mass354.14
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,7,8-trimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1noc(C)c1CN(C)c1nn2c(C(F)(F)F)nnc2c(C)c1C
InChIInChI=1S/C15H17F3N6O/c1-7-8(2)13(23(5)6-11-9(3)22-25-10(11)4)21-24-12(7)19-20-14(24)15(16,17)18/h6H2,1-5H3
InChIKeyFRLWIBMMBCEEHQ-UHFFFAOYSA-N
XLogP3.00
TPSA72.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,7,8-trimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,7,8-trimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,7,8-trimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133367961) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,7,8-trimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,7,8-trimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,7,8-trimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1noc(C)c1CN(C)c1nn2c(C(F)(F)F)nnc2c(C)c1C.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,7,8-trimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is FRLWIBMMBCEEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O/c1-7-8(2)13(23(5)6-11-9(3)22-25-10(11)4)21-24-12(7)19-20-14(24)15(16,17)18/h6H2,1-5H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,7,8-trimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,7,8-trimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 354.34 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,7,8-trimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133367961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).