N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C15H15F3N10O — CID 75386925

IUPACN-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)(C)C(Nc1ccc2nnc(C(F)(F)F)n2n1)c1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C15H15F3N10O/c1-14(2,3)9(12-22-11(27-29-12)10-19-6-20-24-10)21-7-4-5-8-23-25-13(15(16,17)18)28(8)26-7/h4-6,9H,1-3H3,(H,21,26)(H,19,20,24)
InChIKeyGXQPKILJBRBKOQ-UHFFFAOYSA-N
MW408.35 g/mol
LogP2.51
Rot. Bonds4

About N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 75386925) has the molecular formula C15H15F3N10O and a molecular weight of 408.35 g/mol. Its IUPAC name is N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID75386925
Molecular FormulaC15H15F3N10O
Molecular Weight408.35 g/mol
Exact Mass408.14
IUPAC NameN-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)(C)C(Nc1ccc2nnc(C(F)(F)F)n2n1)c1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C15H15F3N10O/c1-14(2,3)9(12-22-11(27-29-12)10-19-6-20-24-10)21-7-4-5-8-23-25-13(15(16,17)18)28(8)26-7/h4-6,9H,1-3H3,(H,21,26)(H,19,20,24)
InChIKeyGXQPKILJBRBKOQ-UHFFFAOYSA-N
XLogP2.51
TPSA135.60 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 75386925) is N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CC(C)(C)C(Nc1ccc2nnc(C(F)(F)F)n2n1)c1nc(-c2ncn[nH]2)no1.
What is the InChIKey of N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is GXQPKILJBRBKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N10O/c1-14(2,3)9(12-22-11(27-29-12)10-19-6-20-24-10)21-7-4-5-8-23-25-13(15(16,17)18)28(8)26-7/h4-6,9H,1-3H3,(H,21,26)(H,19,20,24).
What are the key properties of N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 408.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 75386925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).