3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid

C15H12N8O2 — CID 146380592

IUPAC3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid
SMILESCn1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-n3nccn3)cc21
InChIInChI=1S/C15H12N8O2/c1-22-7-17-9-3-2-8(6-10(9)22)11-14(23-18-4-5-19-23)21-13(16)12(20-11)15(24)25/h2-7H,1H3,(H2,16,21)(H,24,25)
InChIKeyMSFGWIJOSDUMJP-UHFFFAOYSA-N
MW336.32 g/mol
LogP0.89
Rot. Bonds3

About 3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid

3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid (PubChem CID 146380592) has the molecular formula C15H12N8O2 and a molecular weight of 336.32 g/mol. Its IUPAC name is 3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid
PubChem CID146380592
Molecular FormulaC15H12N8O2
Molecular Weight336.32 g/mol
Exact Mass336.11
IUPAC Name3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid
SMILESCn1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-n3nccn3)cc21
InChIInChI=1S/C15H12N8O2/c1-22-7-17-9-3-2-8(6-10(9)22)11-14(23-18-4-5-19-23)21-13(16)12(20-11)15(24)25/h2-7H,1H3,(H2,16,21)(H,24,25)
InChIKeyMSFGWIJOSDUMJP-UHFFFAOYSA-N
XLogP0.89
TPSA137.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid (CID 146380592) is 3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid is Cn1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-n3nccn3)cc21.
What is the InChIKey of 3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid?
The InChIKey is MSFGWIJOSDUMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N8O2/c1-22-7-17-9-3-2-8(6-10(9)22)11-14(23-18-4-5-19-23)21-13(16)12(20-11)15(24)25/h2-7H,1H3,(H2,16,21)(H,24,25).
What are the key properties of 3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid?
3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid has a molecular weight of 336.32 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 146380592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).