7-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C12H20N8O — CID 80836471

IUPAC7-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCNc1nc(N(C)C)nc(N2CCN3C(=O)NCC3C2)n1
InChIInChI=1S/C12H20N8O/c1-13-9-15-10(18(2)3)17-11(16-9)19-4-5-20-8(7-19)6-14-12(20)21/h8H,4-7H2,1-3H3,(H,14,21)(H,13,15,16,17)
InChIKeyIJGYYULRHIFRLL-UHFFFAOYSA-N
MW292.35 g/mol
LogP-0.81
Rot. Bonds3

About 7-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 80836471) has the molecular formula C12H20N8O and a molecular weight of 292.35 g/mol. Its IUPAC name is 7-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID80836471
Molecular FormulaC12H20N8O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC Name7-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCNc1nc(N(C)C)nc(N2CCN3C(=O)NCC3C2)n1
InChIInChI=1S/C12H20N8O/c1-13-9-15-10(18(2)3)17-11(16-9)19-4-5-20-8(7-19)6-14-12(20)21/h8H,4-7H2,1-3H3,(H,14,21)(H,13,15,16,17)
InChIKeyIJGYYULRHIFRLL-UHFFFAOYSA-N
XLogP-0.81
TPSA89.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 80836471) is 7-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CNc1nc(N(C)C)nc(N2CCN3C(=O)NCC3C2)n1.
What is the InChIKey of 7-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is IJGYYULRHIFRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8O/c1-13-9-15-10(18(2)3)17-11(16-9)19-4-5-20-8(7-19)6-14-12(20)21/h8H,4-7H2,1-3H3,(H,14,21)(H,13,15,16,17).
What are the key properties of 7-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 292.35 g/mol, XLogP of -0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 80836471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).