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

C16H25N5O — CID 118740478

IUPACcyclopentyl-(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESO=C(C1CCCC1)N1CCn2c(nnc2C2CCCNC2)C1
InChIInChI=1S/C16H25N5O/c22-16(12-4-1-2-5-12)20-8-9-21-14(11-20)18-19-15(21)13-6-3-7-17-10-13/h12-13,17H,1-11H2
InChIKeyFRDKEFIUNOXKEM-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.28
Rot. Bonds2

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

cyclopentyl-(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 118740478) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is cyclopentyl-(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Namecyclopentyl-(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID118740478
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Namecyclopentyl-(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESO=C(C1CCCC1)N1CCn2c(nnc2C2CCCNC2)C1
InChIInChI=1S/C16H25N5O/c22-16(12-4-1-2-5-12)20-8-9-21-14(11-20)18-19-15(21)13-6-3-7-17-10-13/h12-13,17H,1-11H2
InChIKeyFRDKEFIUNOXKEM-UHFFFAOYSA-N
XLogP1.28
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of cyclopentyl-(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 118740478) is cyclopentyl-(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for cyclopentyl-(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for cyclopentyl-(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is O=C(C1CCCC1)N1CCn2c(nnc2C2CCCNC2)C1.
What is the InChIKey of cyclopentyl-(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is FRDKEFIUNOXKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c22-16(12-4-1-2-5-12)20-8-9-21-14(11-20)18-19-15(21)13-6-3-7-17-10-13/h12-13,17H,1-11H2.
What are the key properties of cyclopentyl-(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
cyclopentyl-(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 303.41 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 118740478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).