(9aR)-8-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide

C16H24N6O4 — CID 125443685

IUPAC(9aR)-8-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCC(C)Cc1noc(CNC(=O)N2CCN3C(=O)CN(C)C(=O)[C@H]3C2)n1
InChIInChI=1S/C16H24N6O4/c1-10(2)6-12-18-13(26-19-12)7-17-16(25)21-4-5-22-11(8-21)15(24)20(3)9-14(22)23/h10-11H,4-9H2,1-3H3,(H,17,25)/t11-/m1/s1
InChIKeySRKIMPPAWWHPOT-LLVKDONJSA-N
MW364.41 g/mol
LogP-0.54
Rot. Bonds4

About (9aR)-8-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide

(9aR)-8-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide (PubChem CID 125443685) has the molecular formula C16H24N6O4 and a molecular weight of 364.41 g/mol. Its IUPAC name is (9aR)-8-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(9aR)-8-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
PubChem CID125443685
Molecular FormulaC16H24N6O4
Molecular Weight364.41 g/mol
Exact Mass364.19
IUPAC Name(9aR)-8-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCC(C)Cc1noc(CNC(=O)N2CCN3C(=O)CN(C)C(=O)[C@H]3C2)n1
InChIInChI=1S/C16H24N6O4/c1-10(2)6-12-18-13(26-19-12)7-17-16(25)21-4-5-22-11(8-21)15(24)20(3)9-14(22)23/h10-11H,4-9H2,1-3H3,(H,17,25)/t11-/m1/s1
InChIKeySRKIMPPAWWHPOT-LLVKDONJSA-N
XLogP-0.54
TPSA111.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (9aR)-8-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

(9aR)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 126442437
(9aS)-2-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 95144493
(2S)-2-(4-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-oxopiperazine-1-carboxamide
CID 125439398
4-acetyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide
CID 122560318
2-(cyclohexanecarbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 73134658
(9aR)-N-(3-acetylphenyl)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 125158789
8-methyl-2-[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 118773848
3-(2-methylindol-1-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 46992621
1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 43655518
N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 120956268
1-(furan-2-ylmethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 71876869
(2S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 126447140

Frequently Asked Questions

What is the IUPAC name of (9aR)-8-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (9aR)-8-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide (CID 125443685) is (9aR)-8-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (9aR)-8-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (9aR)-8-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide is CC(C)Cc1noc(CNC(=O)N2CCN3C(=O)CN(C)C(=O)[C@H]3C2)n1.
What is the InChIKey of (9aR)-8-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The InChIKey is SRKIMPPAWWHPOT-LLVKDONJSA-N. The full InChI is InChI=1S/C16H24N6O4/c1-10(2)6-12-18-13(26-19-12)7-17-16(25)21-4-5-22-11(8-21)15(24)20(3)9-14(22)23/h10-11H,4-9H2,1-3H3,(H,17,25)/t11-/m1/s1.
What are the key properties of (9aR)-8-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
(9aR)-8-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide has a molecular weight of 364.41 g/mol, XLogP of -0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-8-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 125443685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).