(1R)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanamine

C13H16FN5 — CID 78996701

IUPAC(1R)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1cc(F)ccc1N1CCn2cnnc2C1
InChIInChI=1S/C13H16FN5/c1-9(15)11-6-10(14)2-3-12(11)18-4-5-19-8-16-17-13(19)7-18/h2-3,6,8-9H,4-5,7,15H2,1H3/t9-/m1/s1
InChIKeySAGPUQPZJPSHLK-SECBINFHSA-N
MW261.30 g/mol
LogP1.46
Rot. Bonds2

About (1R)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanamine

(1R)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanamine (PubChem CID 78996701) has the molecular formula C13H16FN5 and a molecular weight of 261.30 g/mol. Its IUPAC name is (1R)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanamine
PubChem CID78996701
Molecular FormulaC13H16FN5
Molecular Weight261.30 g/mol
Exact Mass261.14
IUPAC Name(1R)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1cc(F)ccc1N1CCn2cnnc2C1
InChIInChI=1S/C13H16FN5/c1-9(15)11-6-10(14)2-3-12(11)18-4-5-19-8-16-17-13(19)7-18/h2-3,6,8-9H,4-5,7,15H2,1H3/t9-/m1/s1
InChIKeySAGPUQPZJPSHLK-SECBINFHSA-N
XLogP1.46
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanamine (CID 78996701) is (1R)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanamine is C[C@@H](N)c1cc(F)ccc1N1CCn2cnnc2C1.
What is the InChIKey of (1R)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanamine?
The InChIKey is SAGPUQPZJPSHLK-SECBINFHSA-N. The full InChI is InChI=1S/C13H16FN5/c1-9(15)11-6-10(14)2-3-12(11)18-4-5-19-8-16-17-13(19)7-18/h2-3,6,8-9H,4-5,7,15H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanamine?
(1R)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanamine has a molecular weight of 261.30 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 78996701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).