2-[(2S)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C8H10N4O2 — CID 103935414

IUPAC2-[(2S)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESC[C@H](O)Cn1nc2cnccn2c1=O
InChIInChI=1S/C8H10N4O2/c1-6(13)5-12-8(14)11-3-2-9-4-7(11)10-12/h2-4,6,13H,5H2,1H3/t6-/m0/s1
InChIKeyYCBWSIMBKPLBIG-LURJTMIESA-N
MW194.19 g/mol
LogP-0.73
Rot. Bonds2

About 2-[(2S)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[(2S)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 103935414) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-[(2S)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[(2S)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID103935414
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name2-[(2S)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESC[C@H](O)Cn1nc2cnccn2c1=O
InChIInChI=1S/C8H10N4O2/c1-6(13)5-12-8(14)11-3-2-9-4-7(11)10-12/h2-4,6,13H,5H2,1H3/t6-/m0/s1
InChIKeyYCBWSIMBKPLBIG-LURJTMIESA-N
XLogP-0.73
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[(2S)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 103935414) is 2-[(2S)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[(2S)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[(2S)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is C[C@H](O)Cn1nc2cnccn2c1=O.
What is the InChIKey of 2-[(2S)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is YCBWSIMBKPLBIG-LURJTMIESA-N. The full InChI is InChI=1S/C8H10N4O2/c1-6(13)5-12-8(14)11-3-2-9-4-7(11)10-12/h2-4,6,13H,5H2,1H3/t6-/m0/s1.
What are the key properties of 2-[(2S)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[(2S)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 194.19 g/mol, XLogP of -0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 103935414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).