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

C10H14N4O — CID 79643881

IUPAC3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentan-1-one
SMILESO=C1CCC(N2CCn3cnnc3C2)C1
InChIInChI=1S/C10H14N4O/c15-9-2-1-8(5-9)13-3-4-14-7-11-12-10(14)6-13/h7-8H,1-6H2
InChIKeyHOKFMYRNQAVMTR-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.22
Rot. Bonds1

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

3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentan-1-one (PubChem CID 79643881) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentan-1-one
PubChem CID79643881
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentan-1-one
SMILESO=C1CCC(N2CCn3cnnc3C2)C1
InChIInChI=1S/C10H14N4O/c15-9-2-1-8(5-9)13-3-4-14-7-11-12-10(14)6-13/h7-8H,1-6H2
InChIKeyHOKFMYRNQAVMTR-UHFFFAOYSA-N
XLogP0.22
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentan-1-one?
The IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentan-1-one (CID 79643881) is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentan-1-one.
What is the SMILES notation for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentan-1-one?
The canonical SMILES for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentan-1-one is O=C1CCC(N2CCn3cnnc3C2)C1.
What is the InChIKey of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentan-1-one?
The InChIKey is HOKFMYRNQAVMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c15-9-2-1-8(5-9)13-3-4-14-7-11-12-10(14)6-13/h7-8H,1-6H2.
What are the key properties of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentan-1-one?
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentan-1-one has a molecular weight of 206.25 g/mol, XLogP of 0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentan-1-one is sourced from PubChem (CID 79643881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).