5-(3,4-dicyanoanilino)pyrazine-2-carboxylic acid

C13H7N5O2 — CID 107791186

IUPAC5-(3,4-dicyanoanilino)pyrazine-2-carboxylic acid
SMILESN#Cc1ccc(Nc2cnc(C(=O)O)cn2)cc1C#N
InChIInChI=1S/C13H7N5O2/c14-4-8-1-2-10(3-9(8)5-15)18-12-7-16-11(6-17-12)13(19)20/h1-3,6-7H,(H,17,18)(H,19,20)
InChIKeyRTRMKSMOFKPPTN-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.66
Rot. Bonds3

About 5-(3,4-dicyanoanilino)pyrazine-2-carboxylic acid

5-(3,4-dicyanoanilino)pyrazine-2-carboxylic acid (PubChem CID 107791186) has the molecular formula C13H7N5O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 5-(3,4-dicyanoanilino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3,4-dicyanoanilino)pyrazine-2-carboxylic acid
PubChem CID107791186
Molecular FormulaC13H7N5O2
Molecular Weight265.23 g/mol
Exact Mass265.06
IUPAC Name5-(3,4-dicyanoanilino)pyrazine-2-carboxylic acid
SMILESN#Cc1ccc(Nc2cnc(C(=O)O)cn2)cc1C#N
InChIInChI=1S/C13H7N5O2/c14-4-8-1-2-10(3-9(8)5-15)18-12-7-16-11(6-17-12)13(19)20/h1-3,6-7H,(H,17,18)(H,19,20)
InChIKeyRTRMKSMOFKPPTN-UHFFFAOYSA-N
XLogP1.66
TPSA122.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-bromo-4-iodoanilino)pyrazine-2-carboxylic acid
CID 114262227
5-[4-fluoro-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid
CID 107372340
5-[4-methyl-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid
CID 107372402
5-(2-cyano-6-methoxyanilino)pyrazine-2-carboxylic acid
CID 107468716
N-(2-cyanophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294662
5-(4-propylanilino)pyrazine-2-carboxylic acid
CID 107372323
4-[[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]benzonitrile
CID 109273685
5-[3-(methoxymethyl)anilino]pyrazine-2-carboxylic acid
CID 107372372
N-(4-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
CID 109294086
2-(3,4-dicyanoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 107794681
N-(3-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
CID 109294044
N-(3,4-dicyanophenyl)acetamide
CID 12938829

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dicyanoanilino)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(3,4-dicyanoanilino)pyrazine-2-carboxylic acid (CID 107791186) is 5-(3,4-dicyanoanilino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(3,4-dicyanoanilino)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(3,4-dicyanoanilino)pyrazine-2-carboxylic acid is N#Cc1ccc(Nc2cnc(C(=O)O)cn2)cc1C#N.
What is the InChIKey of 5-(3,4-dicyanoanilino)pyrazine-2-carboxylic acid?
The InChIKey is RTRMKSMOFKPPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N5O2/c14-4-8-1-2-10(3-9(8)5-15)18-12-7-16-11(6-17-12)13(19)20/h1-3,6-7H,(H,17,18)(H,19,20).
What are the key properties of 5-(3,4-dicyanoanilino)pyrazine-2-carboxylic acid?
5-(3,4-dicyanoanilino)pyrazine-2-carboxylic acid has a molecular weight of 265.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dicyanoanilino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 107791186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).