5-(3,5-dimethylanilino)pyrazine-2-carbonitrile

C13H12N4 — CID 63658538

IUPAC5-(3,5-dimethylanilino)pyrazine-2-carbonitrile
SMILESCc1cc(C)cc(Nc2cnc(C#N)cn2)c1
InChIInChI=1S/C13H12N4/c1-9-3-10(2)5-11(4-9)17-13-8-15-12(6-14)7-16-13/h3-5,7-8H,1-2H3,(H,16,17)
InChIKeyLQKVGTMHJMXWPC-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.71
Rot. Bonds2

About 5-(3,5-dimethylanilino)pyrazine-2-carbonitrile

5-(3,5-dimethylanilino)pyrazine-2-carbonitrile (PubChem CID 63658538) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 5-(3,5-dimethylanilino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(3,5-dimethylanilino)pyrazine-2-carbonitrile
PubChem CID63658538
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name5-(3,5-dimethylanilino)pyrazine-2-carbonitrile
SMILESCc1cc(C)cc(Nc2cnc(C#N)cn2)c1
InChIInChI=1S/C13H12N4/c1-9-3-10(2)5-11(4-9)17-13-8-15-12(6-14)7-16-13/h3-5,7-8H,1-2H3,(H,16,17)
InChIKeyLQKVGTMHJMXWPC-UHFFFAOYSA-N
XLogP2.71
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylanilino)pyrazine-2-carbonitrile?
The IUPAC name of 5-(3,5-dimethylanilino)pyrazine-2-carbonitrile (CID 63658538) is 5-(3,5-dimethylanilino)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(3,5-dimethylanilino)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(3,5-dimethylanilino)pyrazine-2-carbonitrile is Cc1cc(C)cc(Nc2cnc(C#N)cn2)c1.
What is the InChIKey of 5-(3,5-dimethylanilino)pyrazine-2-carbonitrile?
The InChIKey is LQKVGTMHJMXWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-9-3-10(2)5-11(4-9)17-13-8-15-12(6-14)7-16-13/h3-5,7-8H,1-2H3,(H,16,17).
What are the key properties of 5-(3,5-dimethylanilino)pyrazine-2-carbonitrile?
5-(3,5-dimethylanilino)pyrazine-2-carbonitrile has a molecular weight of 224.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylanilino)pyrazine-2-carbonitrile is sourced from PubChem (CID 63658538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).