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

C10H10FN5 — CID 66846990

IUPAC3-(6-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ccc(-c2nnc3n2CCNC3)cn1
InChIInChI=1S/C10H10FN5/c11-8-2-1-7(5-13-8)10-15-14-9-6-12-3-4-16(9)10/h1-2,5,12H,3-4,6H2
InChIKeyRWUKVMMWQSRPSM-UHFFFAOYSA-N
MW219.22 g/mol
LogP0.58
Rot. Bonds1

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

3-(6-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 66846990) has the molecular formula C10H10FN5 and a molecular weight of 219.22 g/mol. Its IUPAC name is 3-(6-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(6-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID66846990
Molecular FormulaC10H10FN5
Molecular Weight219.22 g/mol
Exact Mass219.09
IUPAC Name3-(6-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ccc(-c2nnc3n2CCNC3)cn1
InChIInChI=1S/C10H10FN5/c11-8-2-1-7(5-13-8)10-15-14-9-6-12-3-4-16(9)10/h1-2,5,12H,3-4,6H2
InChIKeyRWUKVMMWQSRPSM-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-(6-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(6-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 66846990) is 3-(6-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(6-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(6-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is Fc1ccc(-c2nnc3n2CCNC3)cn1.
What is the InChIKey of 3-(6-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is RWUKVMMWQSRPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5/c11-8-2-1-7(5-13-8)10-15-14-9-6-12-3-4-16(9)10/h1-2,5,12H,3-4,6H2.
What are the key properties of 3-(6-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(6-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-(6-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 66846990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).