2-(5-amino-3,4-dicyanopyrazol-1-yl)-5,6-dimethylpyridine-3,4-dicarbonitrile

C14H8N8 — CID 42648415

IUPAC2-(5-amino-3,4-dicyanopyrazol-1-yl)-5,6-dimethylpyridine-3,4-dicarbonitrile
SMILESCc1nc(-n2nc(C#N)c(C#N)c2N)c(C#N)c(C#N)c1C
InChIInChI=1S/C14H8N8/c1-7-8(2)20-14(10(4-16)9(7)3-15)22-13(19)11(5-17)12(6-18)21-22/h19H2,1-2H3
InChIKeyGBVKRCMZSHTBNE-UHFFFAOYSA-N
MW288.27 g/mol
LogP0.95
Rot. Bonds1

About 2-(5-amino-3,4-dicyanopyrazol-1-yl)-5,6-dimethylpyridine-3,4-dicarbonitrile

2-(5-amino-3,4-dicyanopyrazol-1-yl)-5,6-dimethylpyridine-3,4-dicarbonitrile (PubChem CID 42648415) has the molecular formula C14H8N8 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-(5-amino-3,4-dicyanopyrazol-1-yl)-5,6-dimethylpyridine-3,4-dicarbonitrile.

Molecular Properties

Compound Name2-(5-amino-3,4-dicyanopyrazol-1-yl)-5,6-dimethylpyridine-3,4-dicarbonitrile
PubChem CID42648415
Molecular FormulaC14H8N8
Molecular Weight288.27 g/mol
Exact Mass288.09
IUPAC Name2-(5-amino-3,4-dicyanopyrazol-1-yl)-5,6-dimethylpyridine-3,4-dicarbonitrile
SMILESCc1nc(-n2nc(C#N)c(C#N)c2N)c(C#N)c(C#N)c1C
InChIInChI=1S/C14H8N8/c1-7-8(2)20-14(10(4-16)9(7)3-15)22-13(19)11(5-17)12(6-18)21-22/h19H2,1-2H3
InChIKeyGBVKRCMZSHTBNE-UHFFFAOYSA-N
XLogP0.95
TPSA151.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3,4-dicyanopyrazol-1-yl)-5,6-dimethylpyridine-3,4-dicarbonitrile?
The IUPAC name of 2-(5-amino-3,4-dicyanopyrazol-1-yl)-5,6-dimethylpyridine-3,4-dicarbonitrile (CID 42648415) is 2-(5-amino-3,4-dicyanopyrazol-1-yl)-5,6-dimethylpyridine-3,4-dicarbonitrile.
What is the SMILES notation for 2-(5-amino-3,4-dicyanopyrazol-1-yl)-5,6-dimethylpyridine-3,4-dicarbonitrile?
The canonical SMILES for 2-(5-amino-3,4-dicyanopyrazol-1-yl)-5,6-dimethylpyridine-3,4-dicarbonitrile is Cc1nc(-n2nc(C#N)c(C#N)c2N)c(C#N)c(C#N)c1C.
What is the InChIKey of 2-(5-amino-3,4-dicyanopyrazol-1-yl)-5,6-dimethylpyridine-3,4-dicarbonitrile?
The InChIKey is GBVKRCMZSHTBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N8/c1-7-8(2)20-14(10(4-16)9(7)3-15)22-13(19)11(5-17)12(6-18)21-22/h19H2,1-2H3.
What are the key properties of 2-(5-amino-3,4-dicyanopyrazol-1-yl)-5,6-dimethylpyridine-3,4-dicarbonitrile?
2-(5-amino-3,4-dicyanopyrazol-1-yl)-5,6-dimethylpyridine-3,4-dicarbonitrile has a molecular weight of 288.27 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3,4-dicyanopyrazol-1-yl)-5,6-dimethylpyridine-3,4-dicarbonitrile is sourced from PubChem (CID 42648415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).