1-(6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)ethanone

C13H16N6O — CID 1282509

IUPAC1-(6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)ethanone
SMILESCC(=O)N1CC(C)(C)Cn2c(-c3cnccn3)nnc21
InChIInChI=1S/C13H16N6O/c1-9(20)18-7-13(2,3)8-19-11(16-17-12(18)19)10-6-14-4-5-15-10/h4-6H,7-8H2,1-3H3
InChIKeyFAOUYCKLAJYTPS-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.13
Rot. Bonds1

About 1-(6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)ethanone

1-(6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)ethanone (PubChem CID 1282509) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-(6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)ethanone.

Molecular Properties

Compound Name1-(6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)ethanone
PubChem CID1282509
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name1-(6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)ethanone
SMILESCC(=O)N1CC(C)(C)Cn2c(-c3cnccn3)nnc21
InChIInChI=1S/C13H16N6O/c1-9(20)18-7-13(2,3)8-19-11(16-17-12(18)19)10-6-14-4-5-15-10/h4-6H,7-8H2,1-3H3
InChIKeyFAOUYCKLAJYTPS-UHFFFAOYSA-N
XLogP1.13
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)ethanone with MolForge

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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,N-diethyl-2-{[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
CID 974205
(6,6-dimethyl-3-(2-pyrazinyl)-6,7-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-8(5H)-yl)methanol
CID 1282511
8-Acetyl-3-(2-pyrazinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidin-6-yl acetate
CID 12143093
8-(4-Morpholinylmethyl)-3-(2-pyrazinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidine
CID 12143099
1-Dimethylcarbamoyl-3,5-dipyrazinyl-1,2,4-triazole
CID 20285780
1-Acetyl-3,5-dipyrazinyl-1,2,4-triazole
CID 20285816
(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
tert-butyl 6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 90402321
(S)-tert-butyl 6-methyl-3-(pyrazin-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate
CID 90402323

Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)ethanone?
The IUPAC name of 1-(6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)ethanone (CID 1282509) is 1-(6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)ethanone.
What is the SMILES notation for 1-(6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)ethanone?
The canonical SMILES for 1-(6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)ethanone is CC(=O)N1CC(C)(C)Cn2c(-c3cnccn3)nnc21.
What is the InChIKey of 1-(6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)ethanone?
The InChIKey is FAOUYCKLAJYTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-9(20)18-7-13(2,3)8-19-11(16-17-12(18)19)10-6-14-4-5-15-10/h4-6H,7-8H2,1-3H3.
What are the key properties of 1-(6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)ethanone?
1-(6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)ethanone has a molecular weight of 272.31 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)ethanone is sourced from PubChem (CID 1282509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).