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

C15H16F3N7O — CID 167830409

IUPACN-cyclohexyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)c1nnc2ccc(Cc3nnc(NC4CCCCC4)o3)nn12
InChIInChI=1S/C15H16F3N7O/c16-15(17,18)13-22-20-11-7-6-10(24-25(11)13)8-12-21-23-14(26-12)19-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,19,23)
InChIKeyQSUBUFCBXVNHDW-UHFFFAOYSA-N
MW367.34 g/mol
LogP2.86
Rot. Bonds4

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

N-cyclohexyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 167830409) has the molecular formula C15H16F3N7O and a molecular weight of 367.34 g/mol. Its IUPAC name is N-cyclohexyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methyl]-1,3,4-oxadiazol-2-amine
PubChem CID167830409
Molecular FormulaC15H16F3N7O
Molecular Weight367.34 g/mol
Exact Mass367.14
IUPAC NameN-cyclohexyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)c1nnc2ccc(Cc3nnc(NC4CCCCC4)o3)nn12
InChIInChI=1S/C15H16F3N7O/c16-15(17,18)13-22-20-11-7-6-10(24-25(11)13)8-12-21-23-14(26-12)19-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,19,23)
InChIKeyQSUBUFCBXVNHDW-UHFFFAOYSA-N
XLogP2.86
TPSA94.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-cyclohexyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methyl]-1,3,4-oxadiazol-2-amine (CID 167830409) is N-cyclohexyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-cyclohexyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methyl]-1,3,4-oxadiazol-2-amine is FC(F)(F)c1nnc2ccc(Cc3nnc(NC4CCCCC4)o3)nn12.
What is the InChIKey of N-cyclohexyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is QSUBUFCBXVNHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N7O/c16-15(17,18)13-22-20-11-7-6-10(24-25(11)13)8-12-21-23-14(26-12)19-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,19,23).
What are the key properties of N-cyclohexyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methyl]-1,3,4-oxadiazol-2-amine?
N-cyclohexyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 367.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 167830409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).