8-N-[2-(2-fluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine

C13H13FN6 — CID 53260628

IUPAC8-N-[2-(2-fluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
SMILESNc1nnc2c(NCCc3ccccc3F)nccn12
InChIInChI=1S/C13H13FN6/c14-10-4-2-1-3-9(10)5-6-16-11-12-18-19-13(15)20(12)8-7-17-11/h1-4,7-8H,5-6H2,(H2,15,19)(H,16,17)
InChIKeyIUPZANXFYNCGBY-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.50
Rot. Bonds4

About 8-N-[2-(2-fluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine

8-N-[2-(2-fluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine (PubChem CID 53260628) has the molecular formula C13H13FN6 and a molecular weight of 272.29 g/mol. Its IUPAC name is 8-N-[2-(2-fluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine.

Molecular Properties

Compound Name8-N-[2-(2-fluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
PubChem CID53260628
Molecular FormulaC13H13FN6
Molecular Weight272.29 g/mol
Exact Mass272.12
IUPAC Name8-N-[2-(2-fluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
SMILESNc1nnc2c(NCCc3ccccc3F)nccn12
InChIInChI=1S/C13H13FN6/c14-10-4-2-1-3-9(10)5-6-16-11-12-18-19-13(15)20(12)8-7-17-11/h1-4,7-8H,5-6H2,(H2,15,19)(H,16,17)
InChIKeyIUPZANXFYNCGBY-UHFFFAOYSA-N
XLogP1.50
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-N-[2-(2-fluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
The IUPAC name of 8-N-[2-(2-fluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine (CID 53260628) is 8-N-[2-(2-fluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine.
What is the SMILES notation for 8-N-[2-(2-fluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
The canonical SMILES for 8-N-[2-(2-fluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine is Nc1nnc2c(NCCc3ccccc3F)nccn12.
What is the InChIKey of 8-N-[2-(2-fluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
The InChIKey is IUPZANXFYNCGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN6/c14-10-4-2-1-3-9(10)5-6-16-11-12-18-19-13(15)20(12)8-7-17-11/h1-4,7-8H,5-6H2,(H2,15,19)(H,16,17).
What are the key properties of 8-N-[2-(2-fluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
8-N-[2-(2-fluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine has a molecular weight of 272.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[2-(2-fluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine is sourced from PubChem (CID 53260628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).