6-methyl-3-oxo-2-propyl-2,4-dihydro-1H-pyrrolo[3,4-b]pyrazine-5-carboxylic acid

C11H15N3O3 — CID 82375752

IUPAC6-methyl-3-oxo-2-propyl-2,4-dihydro-1H-pyrrolo[3,4-b]pyrazine-5-carboxylic acid
SMILESCCCC1Nc2cn(C)c(C(=O)O)c2NC1=O
InChIInChI=1S/C11H15N3O3/c1-3-4-6-10(15)13-8-7(12-6)5-14(2)9(8)11(16)17/h5-6,12H,3-4H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyFODSWEZQXNCWJP-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.26
Rot. Bonds3

About 6-methyl-3-oxo-2-propyl-2,4-dihydro-1H-pyrrolo[3,4-b]pyrazine-5-carboxylic acid

6-methyl-3-oxo-2-propyl-2,4-dihydro-1H-pyrrolo[3,4-b]pyrazine-5-carboxylic acid (PubChem CID 82375752) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-methyl-3-oxo-2-propyl-2,4-dihydro-1H-pyrrolo[3,4-b]pyrazine-5-carboxylic acid.

Molecular Properties

Compound Name6-methyl-3-oxo-2-propyl-2,4-dihydro-1H-pyrrolo[3,4-b]pyrazine-5-carboxylic acid
PubChem CID82375752
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name6-methyl-3-oxo-2-propyl-2,4-dihydro-1H-pyrrolo[3,4-b]pyrazine-5-carboxylic acid
SMILESCCCC1Nc2cn(C)c(C(=O)O)c2NC1=O
InChIInChI=1S/C11H15N3O3/c1-3-4-6-10(15)13-8-7(12-6)5-14(2)9(8)11(16)17/h5-6,12H,3-4H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyFODSWEZQXNCWJP-UHFFFAOYSA-N
XLogP1.26
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-methyl-3-oxo-2-propyl-2,4-dihydro-1H-pyrrolo[3,4-b]pyrazine-5-carboxylic acid with MolForge

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Related Compounds

5-propylimidazolidine-2,4-dione
CID 567619
2-[(dimethylamino)methyl]-6-methyl-3-oxo-4H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid
CID 82377601
2-(2-carboxyethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carboxylic acid
CID 115544023
6-methyl-3-oxo-2-propan-2-yl-4H-pyrrolo[3,4-b][1,4]thiazine-7-carboxylic acid
CID 82377608
3-ethyl-6,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one
CID 82156858
6-methyl-3-oxospiro[4H-pyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid
CID 82377604
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
3-(7-bromo-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)propanoic acid
CID 79290535
6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione
CID 64873577
3-butyl-6-fluoro-7-iodo-3,4-dihydro-1H-quinoxalin-2-one
CID 79291171
2-(5-chloro-7-methyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetic acid
CID 84635467
3-(methoxymethyl)-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylic acid
CID 82790960

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-oxo-2-propyl-2,4-dihydro-1H-pyrrolo[3,4-b]pyrazine-5-carboxylic acid?
The IUPAC name of 6-methyl-3-oxo-2-propyl-2,4-dihydro-1H-pyrrolo[3,4-b]pyrazine-5-carboxylic acid (CID 82375752) is 6-methyl-3-oxo-2-propyl-2,4-dihydro-1H-pyrrolo[3,4-b]pyrazine-5-carboxylic acid.
What is the SMILES notation for 6-methyl-3-oxo-2-propyl-2,4-dihydro-1H-pyrrolo[3,4-b]pyrazine-5-carboxylic acid?
The canonical SMILES for 6-methyl-3-oxo-2-propyl-2,4-dihydro-1H-pyrrolo[3,4-b]pyrazine-5-carboxylic acid is CCCC1Nc2cn(C)c(C(=O)O)c2NC1=O.
What is the InChIKey of 6-methyl-3-oxo-2-propyl-2,4-dihydro-1H-pyrrolo[3,4-b]pyrazine-5-carboxylic acid?
The InChIKey is FODSWEZQXNCWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-4-6-10(15)13-8-7(12-6)5-14(2)9(8)11(16)17/h5-6,12H,3-4H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 6-methyl-3-oxo-2-propyl-2,4-dihydro-1H-pyrrolo[3,4-b]pyrazine-5-carboxylic acid?
6-methyl-3-oxo-2-propyl-2,4-dihydro-1H-pyrrolo[3,4-b]pyrazine-5-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-oxo-2-propyl-2,4-dihydro-1H-pyrrolo[3,4-b]pyrazine-5-carboxylic acid is sourced from PubChem (CID 82375752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).