6,7,9-trimethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one

C14H19N3O — CID 84632015

IUPAC6,7,9-trimethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
SMILESCc1cc(C)c2c(c1)N1CCNCC1C(=O)N2C
InChIInChI=1S/C14H19N3O/c1-9-6-10(2)13-11(7-9)17-5-4-15-8-12(17)14(18)16(13)3/h6-7,12,15H,4-5,8H2,1-3H3
InChIKeyICNUKVJCECMZOH-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.06
Rot. Bonds

About 6,7,9-trimethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one

6,7,9-trimethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one (PubChem CID 84632015) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 6,7,9-trimethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one.

Molecular Properties

Compound Name6,7,9-trimethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
PubChem CID84632015
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name6,7,9-trimethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
SMILESCc1cc(C)c2c(c1)N1CCNCC1C(=O)N2C
InChIInChI=1S/C14H19N3O/c1-9-6-10(2)13-11(7-9)17-5-4-15-8-12(17)14(18)16(13)3/h6-7,12,15H,4-5,8H2,1-3H3
InChIKeyICNUKVJCECMZOH-UHFFFAOYSA-N
XLogP1.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,7,9-trimethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one with MolForge

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Related Compounds

4-chloro-5,8-dimethyl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one
CID 167173799
8-bromo-10-methyl-6-propan-2-yl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
CID 84646678
7-chloro-9-methyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
CID 84634517
6-ethyl-8,10-dimethyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84632073
10-ethyl-6-methyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
CID 84632006
7,8-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
CID 84626661
6,8-diethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
CID 84637887
9-bromo-6-ethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
CID 84645293
8,9-dimethoxy-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
CID 80502449
(7R)-16-chloro-14-fluoro-15-(2-fluoro-6-hydroxyphenyl)-9-methyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-8-one
CID 138678771
1,3,6,8-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 84623066
1,5,7-trimethyl-3-(1-methylpiperazin-2-yl)indole
CID 84636743

Frequently Asked Questions

What is the IUPAC name of 6,7,9-trimethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one?
The IUPAC name of 6,7,9-trimethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one (CID 84632015) is 6,7,9-trimethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one.
What is the SMILES notation for 6,7,9-trimethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one?
The canonical SMILES for 6,7,9-trimethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one is Cc1cc(C)c2c(c1)N1CCNCC1C(=O)N2C.
What is the InChIKey of 6,7,9-trimethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one?
The InChIKey is ICNUKVJCECMZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-6-10(2)13-11(7-9)17-5-4-15-8-12(17)14(18)16(13)3/h6-7,12,15H,4-5,8H2,1-3H3.
What are the key properties of 6,7,9-trimethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one?
6,7,9-trimethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one has a molecular weight of 245.33 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,9-trimethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one is sourced from PubChem (CID 84632015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).