2-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C11H16N6O2 — CID 82862624

IUPAC2-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCOc1nc(N)nc(N2CCN3C(=O)CCC3C2)n1
InChIInChI=1S/C11H16N6O2/c1-19-11-14-9(12)13-10(15-11)16-4-5-17-7(6-16)2-3-8(17)18/h7H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyACYLKRHSIRPVSW-UHFFFAOYSA-N
MW264.29 g/mol
LogP-0.73
Rot. Bonds2

About 2-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82862624) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82862624
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name2-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCOc1nc(N)nc(N2CCN3C(=O)CCC3C2)n1
InChIInChI=1S/C11H16N6O2/c1-19-11-14-9(12)13-10(15-11)16-4-5-17-7(6-16)2-3-8(17)18/h7H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyACYLKRHSIRPVSW-UHFFFAOYSA-N
XLogP-0.73
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862485
2-(5-bromo-4-methoxypyrimidin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 103875831
4-[3-(diethylamino)pyrrolidin-1-yl]-6-methoxy-1,3,5-triazin-2-amine
CID 80827963
7-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 80851379
4-[4-(dimethylamino)piperidin-1-yl]-6-methoxy-1,3,5-triazin-2-amine
CID 80793675
6-methyl-2-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrimidine-4-carbothioamide
CID 107547883
4-(4,4-dimethylpiperidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 80823660
4-methoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3,5-triazin-2-amine
CID 80837205
2-[2-(aminomethyl)-5-methoxyphenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856938
4-(4-amino-6-methoxy-1,3,5-triazin-2-yl)piperazin-2-one
CID 80763853
2-(6-amino-2-propylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863604
2-(3-oxocyclopenten-1-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 104788033

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82862624) is 2-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is COc1nc(N)nc(N2CCN3C(=O)CCC3C2)n1.
What is the InChIKey of 2-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is ACYLKRHSIRPVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-19-11-14-9(12)13-10(15-11)16-4-5-17-7(6-16)2-3-8(17)18/h7H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 264.29 g/mol, XLogP of -0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82862624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).