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

C13H13F3N6O — CID 75471191

IUPAC7,8-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1cnc(CNc2nn3c(C(F)(F)F)nnc3c(C)c2C)o1
InChIInChI=1S/C13H13F3N6O/c1-6-4-17-9(23-6)5-18-10-7(2)8(3)11-19-20-12(13(14,15)16)22(11)21-10/h4H,5H2,1-3H3,(H,18,21)
InChIKeyNGIDHHAQSVPPCL-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.67
Rot. Bonds3

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

7,8-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 75471191) has the molecular formula C13H13F3N6O and a molecular weight of 326.28 g/mol. Its IUPAC name is 7,8-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name7,8-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID75471191
Molecular FormulaC13H13F3N6O
Molecular Weight326.28 g/mol
Exact Mass326.11
IUPAC Name7,8-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1cnc(CNc2nn3c(C(F)(F)F)nnc3c(C)c2C)o1
InChIInChI=1S/C13H13F3N6O/c1-6-4-17-9(23-6)5-18-10-7(2)8(3)11-19-20-12(13(14,15)16)22(11)21-10/h4H,5H2,1-3H3,(H,18,21)
InChIKeyNGIDHHAQSVPPCL-UHFFFAOYSA-N
XLogP2.67
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7,8-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-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 7,8-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 7,8-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 75471191) is 7,8-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 7,8-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 7,8-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1cnc(CNc2nn3c(C(F)(F)F)nnc3c(C)c2C)o1.
What is the InChIKey of 7,8-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is NGIDHHAQSVPPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N6O/c1-6-4-17-9(23-6)5-18-10-7(2)8(3)11-19-20-12(13(14,15)16)22(11)21-10/h4H,5H2,1-3H3,(H,18,21).
What are the key properties of 7,8-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
7,8-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 326.28 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 75471191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).