1-(3,6-dimethylpyrazin-2-yl)imidazole-4-carboxylic acid

C10H10N4O2 — CID 65418211

IUPAC1-(3,6-dimethylpyrazin-2-yl)imidazole-4-carboxylic acid
SMILESCc1cnc(C)c(-n2cnc(C(=O)O)c2)n1
InChIInChI=1S/C10H10N4O2/c1-6-3-11-7(2)9(13-6)14-4-8(10(15)16)12-5-14/h3-5H,1-2H3,(H,15,16)
InChIKeyBWIHQZRBZFENEQ-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.98
Rot. Bonds2

About 1-(3,6-dimethylpyrazin-2-yl)imidazole-4-carboxylic acid

1-(3,6-dimethylpyrazin-2-yl)imidazole-4-carboxylic acid (PubChem CID 65418211) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-(3,6-dimethylpyrazin-2-yl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3,6-dimethylpyrazin-2-yl)imidazole-4-carboxylic acid
PubChem CID65418211
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name1-(3,6-dimethylpyrazin-2-yl)imidazole-4-carboxylic acid
SMILESCc1cnc(C)c(-n2cnc(C(=O)O)c2)n1
InChIInChI=1S/C10H10N4O2/c1-6-3-11-7(2)9(13-6)14-4-8(10(15)16)12-5-14/h3-5H,1-2H3,(H,15,16)
InChIKeyBWIHQZRBZFENEQ-UHFFFAOYSA-N
XLogP0.98
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyrazin-2-yl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(3,6-dimethylpyrazin-2-yl)imidazole-4-carboxylic acid (CID 65418211) is 1-(3,6-dimethylpyrazin-2-yl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(3,6-dimethylpyrazin-2-yl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(3,6-dimethylpyrazin-2-yl)imidazole-4-carboxylic acid is Cc1cnc(C)c(-n2cnc(C(=O)O)c2)n1.
What is the InChIKey of 1-(3,6-dimethylpyrazin-2-yl)imidazole-4-carboxylic acid?
The InChIKey is BWIHQZRBZFENEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-6-3-11-7(2)9(13-6)14-4-8(10(15)16)12-5-14/h3-5H,1-2H3,(H,15,16).
What are the key properties of 1-(3,6-dimethylpyrazin-2-yl)imidazole-4-carboxylic acid?
1-(3,6-dimethylpyrazin-2-yl)imidazole-4-carboxylic acid has a molecular weight of 218.22 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyrazin-2-yl)imidazole-4-carboxylic acid is sourced from PubChem (CID 65418211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).