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

C12H19N3O2 — CID 56853176

IUPAC(7S,9aR)-2-(cyclopropylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESC[C@@H]1NC(=O)[C@H]2CN(CC3CC3)CCN2C1=O
InChIInChI=1S/C12H19N3O2/c1-8-12(17)15-5-4-14(6-9-2-3-9)7-10(15)11(16)13-8/h8-10H,2-7H2,1H3,(H,13,16)/t8-,10+/m0/s1
InChIKeyFTNLVTUFSJRUGY-WCBMZHEXSA-N
MW237.30 g/mol
LogP-0.57
Rot. Bonds2

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

(7S,9aR)-2-(cyclopropylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 56853176) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (7S,9aR)-2-(cyclopropylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name(7S,9aR)-2-(cyclopropylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID56853176
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(7S,9aR)-2-(cyclopropylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESC[C@@H]1NC(=O)[C@H]2CN(CC3CC3)CCN2C1=O
InChIInChI=1S/C12H19N3O2/c1-8-12(17)15-5-4-14(6-9-2-3-9)7-10(15)11(16)13-8/h8-10H,2-7H2,1H3,(H,13,16)/t8-,10+/m0/s1
InChIKeyFTNLVTUFSJRUGY-WCBMZHEXSA-N
XLogP-0.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylhexahydro-2H-pyrazino[1,2-a]pyrazin-1(6H)-one
CID 51072205
Tetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione
CID 51072206
2-methyltetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione
CID 51072207
1-(Cyclopropylmethyl)-3-methylpiperazine-2,5-dione
CID 64878615
hexahydro-2H-pyrazino[1,2-a]pyrazin-1(6H)-one
CID 45122044
6-(Fluoromethyl)-8-(2-methylbutyl)-1,2,3,6,9,9a-hexahydropyrazino[1,2-a]pyrimidine-4,7-dione
CID 163281639
Tetrahydro-2h-pyrazino[1,2-a]pyrazine-3,6,9(4h)-trione
CID 169488835
(2R)-N-cyclopropyl-1-(3-methylbutanoyl)piperazine-2-carboxamide
CID 44535845
(3S,9aR)-3-methyl-3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione
CID 7161709
8-{[cyclopentyl(methyl)amino]acetyl}tetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione
CID 50954739
8-[(diethylamino)acetyl]tetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione
CID 50964404
N-methyl-4-(8-methyl-9-oxooctahydro-2H-pyrazino[1,2-a]pyrazin-2-yl)-4-oxobutanamide
CID 50971479

Frequently Asked Questions

What is the IUPAC name of (7S,9aR)-2-(cyclopropylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of (7S,9aR)-2-(cyclopropylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (CID 56853176) is (7S,9aR)-2-(cyclopropylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for (7S,9aR)-2-(cyclopropylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for (7S,9aR)-2-(cyclopropylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is C[C@@H]1NC(=O)[C@H]2CN(CC3CC3)CCN2C1=O.
What is the InChIKey of (7S,9aR)-2-(cyclopropylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is FTNLVTUFSJRUGY-WCBMZHEXSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-12(17)15-5-4-14(6-9-2-3-9)7-10(15)11(16)13-8/h8-10H,2-7H2,1H3,(H,13,16)/t8-,10+/m0/s1.
What are the key properties of (7S,9aR)-2-(cyclopropylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
(7S,9aR)-2-(cyclopropylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 237.30 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,9aR)-2-(cyclopropylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 56853176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).