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

C10H10FN5 — CID 66846488

IUPAC3-(2-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ncccc1-c1nnc2n1CCNC2
InChIInChI=1S/C10H10FN5/c11-9-7(2-1-3-13-9)10-15-14-8-6-12-4-5-16(8)10/h1-3,12H,4-6H2
InChIKeyWUUUEQQNZSRNOC-UHFFFAOYSA-N
MW219.22 g/mol
LogP0.58
Rot. Bonds1

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

3-(2-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 66846488) has the molecular formula C10H10FN5 and a molecular weight of 219.22 g/mol. Its IUPAC name is 3-(2-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(2-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID66846488
Molecular FormulaC10H10FN5
Molecular Weight219.22 g/mol
Exact Mass219.09
IUPAC Name3-(2-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ncccc1-c1nnc2n1CCNC2
InChIInChI=1S/C10H10FN5/c11-9-7(2-1-3-13-9)10-15-14-8-6-12-4-5-16(8)10/h1-3,12H,4-6H2
InChIKeyWUUUEQQNZSRNOC-UHFFFAOYSA-N
XLogP0.58
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(2-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 66846488) is 3-(2-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(2-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(2-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is Fc1ncccc1-c1nnc2n1CCNC2.
What is the InChIKey of 3-(2-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is WUUUEQQNZSRNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5/c11-9-7(2-1-3-13-9)10-15-14-8-6-12-4-5-16(8)10/h1-3,12H,4-6H2.
What are the key properties of 3-(2-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(2-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 219.22 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 66846488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).