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

C12H15Cl2FN4 — CID 170911969

IUPAC3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
SMILESCl.Cl.Fc1cccc(Cc2nnc3n2CCNC3)c1
InChIInChI=1S/C12H13FN4.2ClH/c13-10-3-1-2-9(6-10)7-11-15-16-12-8-14-4-5-17(11)12;;/h1-3,6,14H,4-5,7-8H2;2*1H
InChIKeyZAUDYLCMQBBGRO-UHFFFAOYSA-N
MW305.18 g/mol
LogP1.95
Rot. Bonds2

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

3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride (PubChem CID 170911969) has the molecular formula C12H15Cl2FN4 and a molecular weight of 305.18 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
PubChem CID170911969
Molecular FormulaC12H15Cl2FN4
Molecular Weight305.18 g/mol
Exact Mass304.07
IUPAC Name3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
SMILESCl.Cl.Fc1cccc(Cc2nnc3n2CCNC3)c1
InChIInChI=1S/C12H13FN4.2ClH/c13-10-3-1-2-9(6-10)7-11-15-16-12-8-14-4-5-17(11)12;;/h1-3,6,14H,4-5,7-8H2;2*1H
InChIKeyZAUDYLCMQBBGRO-UHFFFAOYSA-N
XLogP1.95
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride (CID 170911969) is 3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride is Cl.Cl.Fc1cccc(Cc2nnc3n2CCNC3)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
The InChIKey is ZAUDYLCMQBBGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4.2ClH/c13-10-3-1-2-9(6-10)7-11-15-16-12-8-14-4-5-17(11)12;;/h1-3,6,14H,4-5,7-8H2;2*1H.
What are the key properties of 3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride has a molecular weight of 305.18 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride is sourced from PubChem (CID 170911969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).