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

C6H10Cl2F2N4 — CID 91647570

IUPAC3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
SMILESCl.Cl.FC(F)c1nnc2n1CCNC2
InChIInChI=1S/C6H8F2N4.2ClH/c7-5(8)6-11-10-4-3-9-1-2-12(4)6;;/h5,9H,1-3H2;2*1H
InChIKeyPTPDODCKENBEPW-UHFFFAOYSA-N
MW247.08 g/mol
LogP1.16
Rot. Bonds1

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

3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride (PubChem CID 91647570) has the molecular formula C6H10Cl2F2N4 and a molecular weight of 247.08 g/mol. Its IUPAC name is 3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride.

Molecular Properties

Compound Name3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
PubChem CID91647570
Molecular FormulaC6H10Cl2F2N4
Molecular Weight247.08 g/mol
Exact Mass246.03
IUPAC Name3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
SMILESCl.Cl.FC(F)c1nnc2n1CCNC2
InChIInChI=1S/C6H8F2N4.2ClH/c7-5(8)6-11-10-4-3-9-1-2-12(4)6;;/h5,9H,1-3H2;2*1H
InChIKeyPTPDODCKENBEPW-UHFFFAOYSA-N
XLogP1.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
The IUPAC name of 3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride (CID 91647570) is 3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride.
What is the SMILES notation for 3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
The canonical SMILES for 3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride is Cl.Cl.FC(F)c1nnc2n1CCNC2.
What is the InChIKey of 3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
The InChIKey is PTPDODCKENBEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4.2ClH/c7-5(8)6-11-10-4-3-9-1-2-12(4)6;;/h5,9H,1-3H2;2*1H.
What are the key properties of 3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride has a molecular weight of 247.08 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride is sourced from PubChem (CID 91647570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).