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

C9H8N6O — CID 90402524

IUPAC3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESO=C1NCCn2c1nnc2-c1cnccn1
InChIInChI=1S/C9H8N6O/c16-9-8-14-13-7(15(8)4-3-12-9)6-5-10-1-2-11-6/h1-2,5H,3-4H2,(H,12,16)
InChIKeyHKZUNQZTDHQWKR-UHFFFAOYSA-N
MW216.20 g/mol
LogP-0.52
Rot. Bonds1

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

3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 90402524) has the molecular formula C9H8N6O and a molecular weight of 216.20 g/mol. Its IUPAC name is 3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID90402524
Molecular FormulaC9H8N6O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESO=C1NCCn2c1nnc2-c1cnccn1
InChIInChI=1S/C9H8N6O/c16-9-8-14-13-7(15(8)4-3-12-9)6-5-10-1-2-11-6/h1-2,5H,3-4H2,(H,12,16)
InChIKeyHKZUNQZTDHQWKR-UHFFFAOYSA-N
XLogP-0.52
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{3-oxo-3-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]propyl}pyrazine-2-carboxamide
CID 60178565
N-{2-oxo-2-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]ethyl}-2-pyrazinecarboxamide
CID 60181376
pyrazin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 91956799
[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyrazin-2-ylmethanone
CID 91957043
3-(2-Pyrazinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidine
CID 1282503
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrazine-2-carboxamide
CID 47210661
8-Acetyl-6,6-dimethyl-3-(2-pyrazinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidine
CID 1282509
(S)-6-methyl-3-(pyrazin-2-yl)-6,7-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one
CID 86279012
Tert-butyl 6-methyl-8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 90402282
(S)-tert-butyl 6-methyl-8-oxo-3-(pyrazin-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate
CID 90402284
6-methyl-3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 90402359
3-(Pyrazin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 90402494

Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 90402524) is 3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one is O=C1NCCn2c1nnc2-c1cnccn1.
What is the InChIKey of 3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is HKZUNQZTDHQWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O/c16-9-8-14-13-7(15(8)4-3-12-9)6-5-10-1-2-11-6/h1-2,5H,3-4H2,(H,12,16).
What are the key properties of 3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 216.20 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 90402524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).