8-[(3R)-3-fluoro-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine

C11H14FN5 — CID 146494647

IUPAC8-[(3R)-3-fluoro-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCC1CCN(c2nccn3ncnc23)C[C@@H]1F
InChIInChI=1S/C11H14FN5/c1-8-2-4-16(6-9(8)12)10-11-14-7-15-17(11)5-3-13-10/h3,5,7-9H,2,4,6H2,1H3/t8?,9-/m0/s1
InChIKeyHJTCXEAPDGKUSP-GKAPJAKFSA-N
MW235.27 g/mol
LogP1.31
Rot. Bonds1

About 8-[(3R)-3-fluoro-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine

8-[(3R)-3-fluoro-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 146494647) has the molecular formula C11H14FN5 and a molecular weight of 235.27 g/mol. Its IUPAC name is 8-[(3R)-3-fluoro-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name8-[(3R)-3-fluoro-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID146494647
Molecular FormulaC11H14FN5
Molecular Weight235.27 g/mol
Exact Mass235.12
IUPAC Name8-[(3R)-3-fluoro-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCC1CCN(c2nccn3ncnc23)C[C@@H]1F
InChIInChI=1S/C11H14FN5/c1-8-2-4-16(6-9(8)12)10-11-14-7-15-17(11)5-3-13-10/h3,5,7-9H,2,4,6H2,1H3/t8?,9-/m0/s1
InChIKeyHJTCXEAPDGKUSP-GKAPJAKFSA-N
XLogP1.31
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(3R)-3-fluoro-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 8-[(3R)-3-fluoro-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine (CID 146494647) is 8-[(3R)-3-fluoro-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 8-[(3R)-3-fluoro-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 8-[(3R)-3-fluoro-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine is CC1CCN(c2nccn3ncnc23)C[C@@H]1F.
What is the InChIKey of 8-[(3R)-3-fluoro-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is HJTCXEAPDGKUSP-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H14FN5/c1-8-2-4-16(6-9(8)12)10-11-14-7-15-17(11)5-3-13-10/h3,5,7-9H,2,4,6H2,1H3/t8?,9-/m0/s1.
What are the key properties of 8-[(3R)-3-fluoro-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine?
8-[(3R)-3-fluoro-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 235.27 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3R)-3-fluoro-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 146494647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).