(9aR)-N-cyclohexyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide

C15H24N4O3 — CID 56852426

IUPAC(9aR)-N-cyclohexyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCN1CC(=O)N2CCN(C(=O)NC3CCCCC3)C[C@@H]2C1=O
InChIInChI=1S/C15H24N4O3/c1-17-10-13(20)19-8-7-18(9-12(19)14(17)21)15(22)16-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H,16,22)/t12-/m1/s1
InChIKeyOJBWPCCLSBDNBB-GFCCVEGCSA-N
MW308.38 g/mol
LogP0.01
Rot. Bonds1

About (9aR)-N-cyclohexyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide

(9aR)-N-cyclohexyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide (PubChem CID 56852426) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (9aR)-N-cyclohexyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(9aR)-N-cyclohexyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
PubChem CID56852426
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name(9aR)-N-cyclohexyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCN1CC(=O)N2CCN(C(=O)NC3CCCCC3)C[C@@H]2C1=O
InChIInChI=1S/C15H24N4O3/c1-17-10-13(20)19-8-7-18(9-12(19)14(17)21)15(22)16-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H,16,22)/t12-/m1/s1
InChIKeyOJBWPCCLSBDNBB-GFCCVEGCSA-N
XLogP0.01
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9aR)-N-cyclohexyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (9aR)-N-cyclohexyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide (CID 56852426) is (9aR)-N-cyclohexyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (9aR)-N-cyclohexyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (9aR)-N-cyclohexyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide is CN1CC(=O)N2CCN(C(=O)NC3CCCCC3)C[C@@H]2C1=O.
What is the InChIKey of (9aR)-N-cyclohexyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The InChIKey is OJBWPCCLSBDNBB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-17-10-13(20)19-8-7-18(9-12(19)14(17)21)15(22)16-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H,16,22)/t12-/m1/s1.
What are the key properties of (9aR)-N-cyclohexyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
(9aR)-N-cyclohexyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-N-cyclohexyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 56852426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).