6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C8H7N3O2 — CID 83680885

IUPAC6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCc1[nH]c2nccnc2c1C(=O)O
InChIInChI=1S/C8H7N3O2/c1-4-5(8(12)13)6-7(11-4)10-3-2-9-6/h2-3H,1H3,(H,10,11)(H,12,13)
InChIKeyXORQPUCIMURGTR-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.96
Rot. Bonds1

About 6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 83680885) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID83680885
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCc1[nH]c2nccnc2c1C(=O)O
InChIInChI=1S/C8H7N3O2/c1-4-5(8(12)13)6-7(11-4)10-3-2-9-6/h2-3H,1H3,(H,10,11)(H,12,13)
InChIKeyXORQPUCIMURGTR-UHFFFAOYSA-N
XLogP0.96
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 83680885) is 6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is Cc1[nH]c2nccnc2c1C(=O)O.
What is the InChIKey of 6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is XORQPUCIMURGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-4-5(8(12)13)6-7(11-4)10-3-2-9-6/h2-3H,1H3,(H,10,11)(H,12,13).
What are the key properties of 6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 177.16 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 83680885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).