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

C10H10N6O — CID 86279012

IUPAC(6S)-6-methyl-3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESC[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1
InChIInChI=1S/C10H10N6O/c1-6-5-16-8(7-4-11-2-3-12-7)14-15-9(16)10(17)13-6/h2-4,6H,5H2,1H3,(H,13,17)/t6-/m0/s1
InChIKeyJODOFRJLNMWTDJ-LURJTMIESA-N
MW230.23 g/mol
LogP-0.13
Rot. Bonds1

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

(6S)-6-methyl-3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 86279012) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is (6S)-6-methyl-3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name(6S)-6-methyl-3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID86279012
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name(6S)-6-methyl-3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESC[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1
InChIInChI=1S/C10H10N6O/c1-6-5-16-8(7-4-11-2-3-12-7)14-15-9(16)10(17)13-6/h2-4,6H,5H2,1H3,(H,13,17)/t6-/m0/s1
InChIKeyJODOFRJLNMWTDJ-LURJTMIESA-N
XLogP-0.13
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(pyrazin-2-yl)-6,7-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one
CID 90402524
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
1-Acetyl-3,5-dipyrazinyl-1,2,4-triazole
CID 20285816
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
tert-butyl 6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 90402321

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of (6S)-6-methyl-3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 86279012) is (6S)-6-methyl-3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for (6S)-6-methyl-3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for (6S)-6-methyl-3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one is C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1.
What is the InChIKey of (6S)-6-methyl-3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is JODOFRJLNMWTDJ-LURJTMIESA-N. The full InChI is InChI=1S/C10H10N6O/c1-6-5-16-8(7-4-11-2-3-12-7)14-15-9(16)10(17)13-6/h2-4,6H,5H2,1H3,(H,13,17)/t6-/m0/s1.
What are the key properties of (6S)-6-methyl-3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
(6S)-6-methyl-3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 230.23 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 86279012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).