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

C10H10FN5 — CID 64955329

IUPAC3-(3-fluoro-4-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cnccc1-c1nnc2n1CCNC2
InChIInChI=1S/C10H10FN5/c11-8-5-12-2-1-7(8)10-15-14-9-6-13-3-4-16(9)10/h1-2,5,13H,3-4,6H2
InChIKeyJBKAIUQLLGTKQK-UHFFFAOYSA-N
MW219.22 g/mol
LogP0.58
Rot. Bonds1

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

3-(3-fluoro-4-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 64955329) has the molecular formula C10H10FN5 and a molecular weight of 219.22 g/mol. Its IUPAC name is 3-(3-fluoro-4-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(3-fluoro-4-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID64955329
Molecular FormulaC10H10FN5
Molecular Weight219.22 g/mol
Exact Mass219.09
IUPAC Name3-(3-fluoro-4-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cnccc1-c1nnc2n1CCNC2
InChIInChI=1S/C10H10FN5/c11-8-5-12-2-1-7(8)10-15-14-9-6-13-3-4-16(9)10/h1-2,5,13H,3-4,6H2
InChIKeyJBKAIUQLLGTKQK-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

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Related Compounds

3-pyrimidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 66846527
3-(2,4,6-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 65100206
3-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
CID 67454095
5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoline
CID 62875923
3-fluoro-4-(1,2,3,6-tetrahydropyridin-5-yl)pyridine
CID 130506741
3-(2,5-difluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103342092
3-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 96611557
3-(3-chlorothiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 80641653
2-pyrazin-2-yl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;dihydrochloride
CID 67454688
3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)isoquinoline;hydrochloride
CID 71225126
3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
CID 67452805
5-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 56861224

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(3-fluoro-4-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 64955329) is 3-(3-fluoro-4-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(3-fluoro-4-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(3-fluoro-4-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is Fc1cnccc1-c1nnc2n1CCNC2.
What is the InChIKey of 3-(3-fluoro-4-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is JBKAIUQLLGTKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5/c11-8-5-12-2-1-7(8)10-15-14-9-6-13-3-4-16(9)10/h1-2,5,13H,3-4,6H2.
What are the key properties of 3-(3-fluoro-4-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(3-fluoro-4-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-(3-fluoro-4-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 64955329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).