2,6,9-trimethyl-3H-pyrazino[2,3-g]quinazoline-4,7,8-trione

C13H12N4O3 — CID 156537248

IUPAC2,6,9-trimethyl-3H-pyrazino[2,3-g]quinazoline-4,7,8-trione
SMILESCc1nc2cc3c(cc2c(=O)[nH]1)n(C)c(=O)c(=O)n3C
InChIInChI=1S/C13H12N4O3/c1-6-14-8-5-10-9(4-7(8)11(18)15-6)16(2)12(19)13(20)17(10)3/h4-5H,1-3H3,(H,14,15,18)
InChIKeyKIKARWJTRSQWJG-UHFFFAOYSA-N
MW272.26 g/mol
LogP-0.22
Rot. Bonds

About 2,6,9-trimethyl-3H-pyrazino[2,3-g]quinazoline-4,7,8-trione

2,6,9-trimethyl-3H-pyrazino[2,3-g]quinazoline-4,7,8-trione (PubChem CID 156537248) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2,6,9-trimethyl-3H-pyrazino[2,3-g]quinazoline-4,7,8-trione.

Molecular Properties

Compound Name2,6,9-trimethyl-3H-pyrazino[2,3-g]quinazoline-4,7,8-trione
PubChem CID156537248
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name2,6,9-trimethyl-3H-pyrazino[2,3-g]quinazoline-4,7,8-trione
SMILESCc1nc2cc3c(cc2c(=O)[nH]1)n(C)c(=O)c(=O)n3C
InChIInChI=1S/C13H12N4O3/c1-6-14-8-5-10-9(4-7(8)11(18)15-6)16(2)12(19)13(20)17(10)3/h4-5H,1-3H3,(H,14,15,18)
InChIKeyKIKARWJTRSQWJG-UHFFFAOYSA-N
XLogP-0.22
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1,6-dimethyl-7H-[1,3]oxazolo[4,5-g]quinazoline-2,8-dione
CID 156548217
6,7-difluoro-2-methyl-3H-quinazolin-4-one
CID 135742282
1,3,6-trimethyl-5H-imidazo[4,5-f]benzimidazol-2-one
CID 817806
6-iodo-2-methyl-7-propan-2-yl-3H-quinazolin-4-one
CID 135428135
6-bromo-7-fluoro-2-methyl-3H-quinazolin-4-one
CID 136675677
ethane;2-methyl-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one
CID 142217588
CID 177158828
CID 177158828
7-iodo-2-methyl-3H-quinazolin-4-one
CID 135742316
6-(dimethylamino)-7-fluoro-2-methyl-3H-quinazolin-4-one
CID 165489014
6,7-dimethoxy-2-methyl-3H-quinazolin-4-one;6-hydroxy-7-methoxy-2-methyl-3H-quinazolin-4-one;methane
CID 158479470
(6-fluoro-2-methyl-4-oxo-3H-quinazolin-7-yl)boronic acid
CID 166092343
6-methoxy-2-methyl-3H-quinazolin-4-one
CID 135449497

Frequently Asked Questions

What is the IUPAC name of 2,6,9-trimethyl-3H-pyrazino[2,3-g]quinazoline-4,7,8-trione?
The IUPAC name of 2,6,9-trimethyl-3H-pyrazino[2,3-g]quinazoline-4,7,8-trione (CID 156537248) is 2,6,9-trimethyl-3H-pyrazino[2,3-g]quinazoline-4,7,8-trione.
What is the SMILES notation for 2,6,9-trimethyl-3H-pyrazino[2,3-g]quinazoline-4,7,8-trione?
The canonical SMILES for 2,6,9-trimethyl-3H-pyrazino[2,3-g]quinazoline-4,7,8-trione is Cc1nc2cc3c(cc2c(=O)[nH]1)n(C)c(=O)c(=O)n3C.
What is the InChIKey of 2,6,9-trimethyl-3H-pyrazino[2,3-g]quinazoline-4,7,8-trione?
The InChIKey is KIKARWJTRSQWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-6-14-8-5-10-9(4-7(8)11(18)15-6)16(2)12(19)13(20)17(10)3/h4-5H,1-3H3,(H,14,15,18).
What are the key properties of 2,6,9-trimethyl-3H-pyrazino[2,3-g]quinazoline-4,7,8-trione?
2,6,9-trimethyl-3H-pyrazino[2,3-g]quinazoline-4,7,8-trione has a molecular weight of 272.26 g/mol, XLogP of -0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,9-trimethyl-3H-pyrazino[2,3-g]quinazoline-4,7,8-trione is sourced from PubChem (CID 156537248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).