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

C13H21N3O2 — CID 56859582

IUPAC(7S,9aR)-2-(cyclopropylmethyl)-7,8-dimethyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESC[C@H]1C(=O)N2CCN(CC3CC3)C[C@@H]2C(=O)N1C
InChIInChI=1S/C13H21N3O2/c1-9-12(17)16-6-5-15(7-10-3-4-10)8-11(16)13(18)14(9)2/h9-11H,3-8H2,1-2H3/t9-,11+/m0/s1
InChIKeyQNSZLXDLWWKLEP-GXSJLCMTSA-N
MW251.33 g/mol
LogP-0.23
Rot. Bonds2

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

(7S,9aR)-2-(cyclopropylmethyl)-7,8-dimethyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 56859582) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (7S,9aR)-2-(cyclopropylmethyl)-7,8-dimethyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name(7S,9aR)-2-(cyclopropylmethyl)-7,8-dimethyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID56859582
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(7S,9aR)-2-(cyclopropylmethyl)-7,8-dimethyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESC[C@H]1C(=O)N2CCN(CC3CC3)C[C@@H]2C(=O)N1C
InChIInChI=1S/C13H21N3O2/c1-9-12(17)16-6-5-15(7-10-3-4-10)8-11(16)13(18)14(9)2/h9-11H,3-8H2,1-2H3/t9-,11+/m0/s1
InChIKeyQNSZLXDLWWKLEP-GXSJLCMTSA-N
XLogP-0.23
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (7S,9aR)-2-(cyclopropylmethyl)-7,8-dimethyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione with MolForge

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Related Compounds

(9aR)-8-methyl-2-(4,4,4-trifluorobutanoyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 129608291
(9aS)-8-methyl-2-(4,4,4-trifluorobutanoyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 129608292
2-methyl-8-(4,4,4-trifluorobutanoyl)tetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione
CID 131890817
(7S,9aR)-2-(cyclopropylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56853176
(7S,9aR)-7-ethyl-2-(3-methylbutyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56856083
(7S,9aR)-2-(cyclopropylmethyl)-7-propyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56858051
(9aR)-2-methyl-8-(3-methylbutyl)tetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione
CID 56859202
(9aR)-8-isobutyl-2-methyltetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione
CID 56860059
(9aR)-8-(cyclopropylmethyl)-2-methyltetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione
CID 56860502
(7S,9aR)-7,8-dimethyl-2-(3-methylbutyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 126461741
2,7,7-trimethyl-3,4,8,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 18338699
2-Methyl-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 18338736

Frequently Asked Questions

What is the IUPAC name of (7S,9aR)-2-(cyclopropylmethyl)-7,8-dimethyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of (7S,9aR)-2-(cyclopropylmethyl)-7,8-dimethyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (CID 56859582) is (7S,9aR)-2-(cyclopropylmethyl)-7,8-dimethyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for (7S,9aR)-2-(cyclopropylmethyl)-7,8-dimethyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for (7S,9aR)-2-(cyclopropylmethyl)-7,8-dimethyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is C[C@H]1C(=O)N2CCN(CC3CC3)C[C@@H]2C(=O)N1C.
What is the InChIKey of (7S,9aR)-2-(cyclopropylmethyl)-7,8-dimethyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is QNSZLXDLWWKLEP-GXSJLCMTSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-12(17)16-6-5-15(7-10-3-4-10)8-11(16)13(18)14(9)2/h9-11H,3-8H2,1-2H3/t9-,11+/m0/s1.
What are the key properties of (7S,9aR)-2-(cyclopropylmethyl)-7,8-dimethyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
(7S,9aR)-2-(cyclopropylmethyl)-7,8-dimethyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 251.33 g/mol, XLogP of -0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,9aR)-2-(cyclopropylmethyl)-7,8-dimethyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 56859582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).