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

C12H13FN4 — CID 62586441

IUPAC3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cccc(Cc2nnc3n2CCNC3)c1
InChIInChI=1S/C12H13FN4/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
InChIKeyYFJDCRCHIXBUHZ-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.11
Rot. Bonds2

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

3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 62586441) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID62586441
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cccc(Cc2nnc3n2CCNC3)c1
InChIInChI=1S/C12H13FN4/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
InChIKeyYFJDCRCHIXBUHZ-UHFFFAOYSA-N
XLogP1.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 62586441) is 3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is 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?
The InChIKey is YFJDCRCHIXBUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/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.
What are the key properties of 3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 232.26 g/mol, XLogP of 1.11, 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 is sourced from PubChem (CID 62586441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).