6-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C13H13F3N8S — CID 26019670

IUPAC6-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(Sc3nnnn3C3CCCCC3)nn12
InChIInChI=1S/C13H13F3N8S/c14-13(15,16)11-18-17-9-6-7-10(20-24(9)11)25-12-19-21-22-23(12)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyMXNORPVLNINMRB-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.79
Rot. Bonds3

About 6-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 26019670) has the molecular formula C13H13F3N8S and a molecular weight of 370.36 g/mol. Its IUPAC name is 6-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID26019670
Molecular FormulaC13H13F3N8S
Molecular Weight370.36 g/mol
Exact Mass370.09
IUPAC Name6-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(Sc3nnnn3C3CCCCC3)nn12
InChIInChI=1S/C13H13F3N8S/c14-13(15,16)11-18-17-9-6-7-10(20-24(9)11)25-12-19-21-22-23(12)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyMXNORPVLNINMRB-UHFFFAOYSA-N
XLogP2.79
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 26019670) is 6-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1nnc2ccc(Sc3nnnn3C3CCCCC3)nn12.
What is the InChIKey of 6-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is MXNORPVLNINMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N8S/c14-13(15,16)11-18-17-9-6-7-10(20-24(9)11)25-12-19-21-22-23(12)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 6-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 370.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 26019670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).