2,7,7-trimethyl-3,4,8,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione

C10H17N3O2 — CID 18338699

IUPAC2,7,7-trimethyl-3,4,8,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESCN1CCN2C(=O)C(C)(C)NC(=O)C2C1
InChIInChI=1S/C10H17N3O2/c1-10(2)9(15)13-5-4-12(3)6-7(13)8(14)11-10/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyPRPOITZXZPRDNX-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.96
Rot. Bonds

About 2,7,7-trimethyl-3,4,8,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione

2,7,7-trimethyl-3,4,8,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 18338699) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2,7,7-trimethyl-3,4,8,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name2,7,7-trimethyl-3,4,8,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID18338699
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2,7,7-trimethyl-3,4,8,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESCN1CCN2C(=O)C(C)(C)NC(=O)C2C1
InChIInChI=1S/C10H17N3O2/c1-10(2)9(15)13-5-4-12(3)6-7(13)8(14)11-10/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyPRPOITZXZPRDNX-UHFFFAOYSA-N
XLogP-0.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7,7-trimethyl-3,4,8,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of 2,7,7-trimethyl-3,4,8,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (CID 18338699) is 2,7,7-trimethyl-3,4,8,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for 2,7,7-trimethyl-3,4,8,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for 2,7,7-trimethyl-3,4,8,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is CN1CCN2C(=O)C(C)(C)NC(=O)C2C1.
What is the InChIKey of 2,7,7-trimethyl-3,4,8,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is PRPOITZXZPRDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2)9(15)13-5-4-12(3)6-7(13)8(14)11-10/h7H,4-6H2,1-3H3,(H,11,14).
What are the key properties of 2,7,7-trimethyl-3,4,8,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
2,7,7-trimethyl-3,4,8,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 211.26 g/mol, XLogP of -0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,7-trimethyl-3,4,8,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 18338699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).