4-methylpyrrolo[1,2-a]pyrazine-3-carboxylic acid

C9H8N2O2 — CID 117272695

IUPAC4-methylpyrrolo[1,2-a]pyrazine-3-carboxylic acid
SMILESCc1c(C(=O)O)ncc2cccn12
InChIInChI=1S/C9H8N2O2/c1-6-8(9(12)13)10-5-7-3-2-4-11(6)7/h2-5H,1H3,(H,12,13)
InChIKeyRLJVRHSBIRRTHQ-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.34
Rot. Bonds1

About 4-methylpyrrolo[1,2-a]pyrazine-3-carboxylic acid

4-methylpyrrolo[1,2-a]pyrazine-3-carboxylic acid (PubChem CID 117272695) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 4-methylpyrrolo[1,2-a]pyrazine-3-carboxylic acid.

Molecular Properties

Compound Name4-methylpyrrolo[1,2-a]pyrazine-3-carboxylic acid
PubChem CID117272695
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name4-methylpyrrolo[1,2-a]pyrazine-3-carboxylic acid
SMILESCc1c(C(=O)O)ncc2cccn12
InChIInChI=1S/C9H8N2O2/c1-6-8(9(12)13)10-5-7-3-2-4-11(6)7/h2-5H,1H3,(H,12,13)
InChIKeyRLJVRHSBIRRTHQ-UHFFFAOYSA-N
XLogP1.34
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742896
3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 84737805
3-phenylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252473
ethane;4-methylpyrrolo[1,2-a]pyrazine
CID 143942469
2-imidazo[1,5-a]pyridin-3-ylcyclopropane-1-carboxylic acid
CID 116993086
6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene
CID 13114342
3-prop-1-en-2-ylimidazo[1,5-a]pyridine
CID 177219102
3-(1-aminoethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254853
3-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252544
pyrrolidin-1-yl(pyrrolo[1,2-a]quinoxalin-6-yl)methanone
CID 150361115
N-(imidazo[1,5-a]pyridin-3-ylmethyl)-4-methyl-3-phenylpentanamide
CID 110619655
5-amino-4-methylisoquinoline-1-carboxylic acid
CID 82571670

Frequently Asked Questions

What is the IUPAC name of 4-methylpyrrolo[1,2-a]pyrazine-3-carboxylic acid?
The IUPAC name of 4-methylpyrrolo[1,2-a]pyrazine-3-carboxylic acid (CID 117272695) is 4-methylpyrrolo[1,2-a]pyrazine-3-carboxylic acid.
What is the SMILES notation for 4-methylpyrrolo[1,2-a]pyrazine-3-carboxylic acid?
The canonical SMILES for 4-methylpyrrolo[1,2-a]pyrazine-3-carboxylic acid is Cc1c(C(=O)O)ncc2cccn12.
What is the InChIKey of 4-methylpyrrolo[1,2-a]pyrazine-3-carboxylic acid?
The InChIKey is RLJVRHSBIRRTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-6-8(9(12)13)10-5-7-3-2-4-11(6)7/h2-5H,1H3,(H,12,13).
What are the key properties of 4-methylpyrrolo[1,2-a]pyrazine-3-carboxylic acid?
4-methylpyrrolo[1,2-a]pyrazine-3-carboxylic acid has a molecular weight of 176.17 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyrrolo[1,2-a]pyrazine-3-carboxylic acid is sourced from PubChem (CID 117272695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).