2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

C17H24N6O — CID 50963027

IUPAC2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCc1cc(C)n2ncc(CN3CCN4CCN(C)C(=O)C4C3)c2n1
InChIInChI=1S/C17H24N6O/c1-12-8-13(2)23-16(19-12)14(9-18-23)10-21-5-7-22-6-4-20(3)17(24)15(22)11-21/h8-9,15H,4-7,10-11H2,1-3H3
InChIKeyIHFBKYTWTLFVOG-UHFFFAOYSA-N
MW328.42 g/mol
LogP0.30
Rot. Bonds2

About 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (PubChem CID 50963027) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
PubChem CID50963027
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCc1cc(C)n2ncc(CN3CCN4CCN(C)C(=O)C4C3)c2n1
InChIInChI=1S/C17H24N6O/c1-12-8-13(2)23-16(19-12)14(9-18-23)10-21-5-7-22-6-4-20(3)17(24)15(22)11-21/h8-9,15H,4-7,10-11H2,1-3H3
InChIKeyIHFBKYTWTLFVOG-UHFFFAOYSA-N
XLogP0.30
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (CID 50963027) is 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is Cc1cc(C)n2ncc(CN3CCN4CCN(C)C(=O)C4C3)c2n1.
What is the InChIKey of 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The InChIKey is IHFBKYTWTLFVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12-8-13(2)23-16(19-12)14(9-18-23)10-21-5-7-22-6-4-20(3)17(24)15(22)11-21/h8-9,15H,4-7,10-11H2,1-3H3.
What are the key properties of 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one has a molecular weight of 328.42 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 50963027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).