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

C14H15F3N6O — CID 133342065

IUPACN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)(C)c1cnc(CNc2ccc3nnc(C(F)(F)F)n3n2)o1
InChIInChI=1S/C14H15F3N6O/c1-13(2,3)8-6-19-11(24-8)7-18-9-4-5-10-20-21-12(14(15,16)17)23(10)22-9/h4-6H,7H2,1-3H3,(H,18,22)
InChIKeyPGYQIJHBRSDEOU-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.04
Rot. Bonds3

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

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133342065) has the molecular formula C14H15F3N6O and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133342065
Molecular FormulaC14H15F3N6O
Molecular Weight340.31 g/mol
Exact Mass340.13
IUPAC NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)(C)c1cnc(CNc2ccc3nnc(C(F)(F)F)n3n2)o1
InChIInChI=1S/C14H15F3N6O/c1-13(2,3)8-6-19-11(24-8)7-18-9-4-5-10-20-21-12(14(15,16)17)23(10)22-9/h4-6H,7H2,1-3H3,(H,18,22)
InChIKeyPGYQIJHBRSDEOU-UHFFFAOYSA-N
XLogP3.04
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133342065) is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CC(C)(C)c1cnc(CNc2ccc3nnc(C(F)(F)F)n3n2)o1.
What is the InChIKey of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is PGYQIJHBRSDEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6O/c1-13(2,3)8-6-19-11(24-8)7-18-9-4-5-10-20-21-12(14(15,16)17)23(10)22-9/h4-6H,7H2,1-3H3,(H,18,22).
What are the key properties of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 340.31 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133342065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).