propane;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C9H15F3N4 — CID 163381389

IUPACpropane;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC.FC(F)(F)c1nnc2n1CCNC2
InChIInChI=1S/C6H7F3N4.C3H8/c7-6(8,9)5-12-11-4-3-10-1-2-13(4)5;1-3-2/h10H,1-3H2;3H2,1-2H3
InChIKeyFNMCALAYIDDXDM-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.82
Rot. Bonds

About propane;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

propane;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 163381389) has the molecular formula C9H15F3N4 and a molecular weight of 236.24 g/mol. Its IUPAC name is propane;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Namepropane;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID163381389
Molecular FormulaC9H15F3N4
Molecular Weight236.24 g/mol
Exact Mass236.12
IUPAC Namepropane;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC.FC(F)(F)c1nnc2n1CCNC2
InChIInChI=1S/C6H7F3N4.C3H8/c7-6(8,9)5-12-11-4-3-10-1-2-13(4)5;1-3-2/h10H,1-3H2;3H2,1-2H3
InChIKeyFNMCALAYIDDXDM-UHFFFAOYSA-N
XLogP1.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propane;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of propane;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 163381389) is propane;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for propane;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for propane;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CCC.FC(F)(F)c1nnc2n1CCNC2.
What is the InChIKey of propane;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is FNMCALAYIDDXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4.C3H8/c7-6(8,9)5-12-11-4-3-10-1-2-13(4)5;1-3-2/h10H,1-3H2;3H2,1-2H3.
What are the key properties of propane;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
propane;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 236.24 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propane;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 163381389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).