(3S)-8-amino-3-methyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione

C9H15N3O2 — CID 82398956

IUPAC(3S)-8-amino-3-methyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione
SMILESC[C@@H]1NC(=O)C2CC(N)CCN2C1=O
InChIInChI=1S/C9H15N3O2/c1-5-9(14)12-3-2-6(10)4-7(12)8(13)11-5/h5-7H,2-4,10H2,1H3,(H,11,13)/t5-,6?,7?/m0/s1
InChIKeyXTZPBSKYPZYGCC-VTSJMVTISA-N
MW197.24 g/mol
LogP-1.18
Rot. Bonds

About (3S)-8-amino-3-methyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione

(3S)-8-amino-3-methyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 82398956) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (3S)-8-amino-3-methyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name(3S)-8-amino-3-methyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione
PubChem CID82398956
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(3S)-8-amino-3-methyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione
SMILESC[C@@H]1NC(=O)C2CC(N)CCN2C1=O
InChIInChI=1S/C9H15N3O2/c1-5-9(14)12-3-2-6(10)4-7(12)8(13)11-5/h5-7H,2-4,10H2,1H3,(H,11,13)/t5-,6?,7?/m0/s1
InChIKeyXTZPBSKYPZYGCC-VTSJMVTISA-N
XLogP-1.18
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-8-amino-3-methyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione with MolForge

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Related Compounds

(3S,8aR)-3-methyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 5325711
(3S,9aR)-3-methyl-3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazin-8-ium-1,4-dione
CID 7161708
8-amino-2-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 82398958
(7R,9aR)-2-(cyclohexylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56859021
(3S,5S,13S,15R,19S,22S)-5-amino-15,19-dimethyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,12,18,21-pentone
CID 138720624
N-[(3S,8S,9aS)-3-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 7048976
(3S,9S,12S,15R)-3,6,6,9,12-pentamethyl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone
CID 101044481
(3R,6S,9S,15R,18S,21S)-3,15-dimethyl-6,18-bis(2-methylpropyl)-1,4,7,13,16,19-hexazatricyclo[19.3.0.09,13]tetracosane-2,5,8,14,17,20-hexone
CID 101219153
(7R,9aR)-7-methyl-2-(4-methylbenzoyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 126461146
(3S,9S,10S,13S,15R,19S,22S)-9-amino-10,15,19-trimethyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,12,18,21-pentone
CID 144801428
(4-methylphenyl) (7R,9aR)-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate
CID 126461314
(6aS,8S)-8-amino-3-chloro-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepine-6,12-dione
CID 38345850

Frequently Asked Questions

What is the IUPAC name of (3S)-8-amino-3-methyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of (3S)-8-amino-3-methyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione (CID 82398956) is (3S)-8-amino-3-methyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for (3S)-8-amino-3-methyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for (3S)-8-amino-3-methyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione is C[C@@H]1NC(=O)C2CC(N)CCN2C1=O.
What is the InChIKey of (3S)-8-amino-3-methyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is XTZPBSKYPZYGCC-VTSJMVTISA-N. The full InChI is InChI=1S/C9H15N3O2/c1-5-9(14)12-3-2-6(10)4-7(12)8(13)11-5/h5-7H,2-4,10H2,1H3,(H,11,13)/t5-,6?,7?/m0/s1.
What are the key properties of (3S)-8-amino-3-methyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione?
(3S)-8-amino-3-methyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 197.24 g/mol, XLogP of -1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-amino-3-methyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 82398956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).