N-(2-cyclopropyloxan-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C14H16F3N5O — CID 127878750

IUPACN-(2-cyclopropyloxan-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFC(F)(F)c1nnc2ccc(NC3CCOC(C4CC4)C3)nn12
InChIInChI=1S/C14H16F3N5O/c15-14(16,17)13-20-19-12-4-3-11(21-22(12)13)18-9-5-6-23-10(7-9)8-1-2-8/h3-4,8-10H,1-2,5-7H2,(H,18,21)
InChIKeyDXAGJKATJBINRL-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.51
Rot. Bonds3

About N-(2-cyclopropyloxan-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-(2-cyclopropyloxan-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 127878750) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is N-(2-cyclopropyloxan-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(2-cyclopropyloxan-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID127878750
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC NameN-(2-cyclopropyloxan-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFC(F)(F)c1nnc2ccc(NC3CCOC(C4CC4)C3)nn12
InChIInChI=1S/C14H16F3N5O/c15-14(16,17)13-20-19-12-4-3-11(21-22(12)13)18-9-5-6-23-10(7-9)8-1-2-8/h3-4,8-10H,1-2,5-7H2,(H,18,21)
InChIKeyDXAGJKATJBINRL-UHFFFAOYSA-N
XLogP2.51
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyloxan-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(2-cyclopropyloxan-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 127878750) is N-(2-cyclopropyloxan-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(2-cyclopropyloxan-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(2-cyclopropyloxan-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is FC(F)(F)c1nnc2ccc(NC3CCOC(C4CC4)C3)nn12.
What is the InChIKey of N-(2-cyclopropyloxan-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is DXAGJKATJBINRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c15-14(16,17)13-20-19-12-4-3-11(21-22(12)13)18-9-5-6-23-10(7-9)8-1-2-8/h3-4,8-10H,1-2,5-7H2,(H,18,21).
What are the key properties of N-(2-cyclopropyloxan-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(2-cyclopropyloxan-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 327.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyloxan-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 127878750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).