(9aR)-2-(cyclopropylmethyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione

C12H19N3O2 — CID 56860502

IUPAC(9aR)-2-(cyclopropylmethyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESCN1CC(=O)N2CCN(CC3CC3)C[C@@H]2C1=O
InChIInChI=1S/C12H19N3O2/c1-13-8-11(16)15-5-4-14(6-9-2-3-9)7-10(15)12(13)17/h9-10H,2-8H2,1H3/t10-/m1/s1
InChIKeyYMXUUUBCHSWUFA-SNVBAGLBSA-N
MW237.30 g/mol
LogP-0.62
Rot. Bonds2

About (9aR)-2-(cyclopropylmethyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione

(9aR)-2-(cyclopropylmethyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 56860502) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (9aR)-2-(cyclopropylmethyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name(9aR)-2-(cyclopropylmethyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID56860502
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(9aR)-2-(cyclopropylmethyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESCN1CC(=O)N2CCN(CC3CC3)C[C@@H]2C1=O
InChIInChI=1S/C12H19N3O2/c1-13-8-11(16)15-5-4-14(6-9-2-3-9)7-10(15)12(13)17/h9-10H,2-8H2,1H3/t10-/m1/s1
InChIKeyYMXUUUBCHSWUFA-SNVBAGLBSA-N
XLogP-0.62
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9aR)-2-(cyclopropylmethyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of (9aR)-2-(cyclopropylmethyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (CID 56860502) is (9aR)-2-(cyclopropylmethyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for (9aR)-2-(cyclopropylmethyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for (9aR)-2-(cyclopropylmethyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is CN1CC(=O)N2CCN(CC3CC3)C[C@@H]2C1=O.
What is the InChIKey of (9aR)-2-(cyclopropylmethyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is YMXUUUBCHSWUFA-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-13-8-11(16)15-5-4-14(6-9-2-3-9)7-10(15)12(13)17/h9-10H,2-8H2,1H3/t10-/m1/s1.
What are the key properties of (9aR)-2-(cyclopropylmethyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
(9aR)-2-(cyclopropylmethyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 237.30 g/mol, XLogP of -0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2-(cyclopropylmethyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 56860502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).