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

C17H20FN5O — CID 134789851

IUPAC(2-fluorophenyl)-(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESO=C(c1ccccc1F)N1CCn2c(nnc2C2CCNCC2)C1
InChIInChI=1S/C17H20FN5O/c18-14-4-2-1-3-13(14)17(24)22-9-10-23-15(11-22)20-21-16(23)12-5-7-19-8-6-12/h1-4,12,19H,5-11H2
InChIKeyPSLWHGDSKCVDJR-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.54
Rot. Bonds2

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

(2-fluorophenyl)-(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 134789851) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is (2-fluorophenyl)-(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID134789851
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name(2-fluorophenyl)-(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESO=C(c1ccccc1F)N1CCn2c(nnc2C2CCNCC2)C1
InChIInChI=1S/C17H20FN5O/c18-14-4-2-1-3-13(14)17(24)22-9-10-23-15(11-22)20-21-16(23)12-5-7-19-8-6-12/h1-4,12,19H,5-11H2
InChIKeyPSLWHGDSKCVDJR-UHFFFAOYSA-N
XLogP1.54
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 134789851) is (2-fluorophenyl)-(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is O=C(c1ccccc1F)N1CCn2c(nnc2C2CCNCC2)C1.
What is the InChIKey of (2-fluorophenyl)-(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is PSLWHGDSKCVDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c18-14-4-2-1-3-13(14)17(24)22-9-10-23-15(11-22)20-21-16(23)12-5-7-19-8-6-12/h1-4,12,19H,5-11H2.
What are the key properties of (2-fluorophenyl)-(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
(2-fluorophenyl)-(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 329.38 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 134789851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).