3-amino-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2,6-dicarbonitrile

C11H9N7 — CID 10014474

IUPAC3-amino-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2,6-dicarbonitrile
SMILESCc1cc(C)n(-c2nc(N)c(C#N)nc2C#N)n1
InChIInChI=1S/C11H9N7/c1-6-3-7(2)18(17-6)11-9(5-13)15-8(4-12)10(14)16-11/h3H,1-2H3,(H2,14,16)
InChIKeyLDFATDJGVGLISE-UHFFFAOYSA-N
MW239.24 g/mol
LogP0.60
Rot. Bonds1

About 3-amino-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2,6-dicarbonitrile

3-amino-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2,6-dicarbonitrile (PubChem CID 10014474) has the molecular formula C11H9N7 and a molecular weight of 239.24 g/mol. Its IUPAC name is 3-amino-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2,6-dicarbonitrile.

Molecular Properties

Compound Name3-amino-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2,6-dicarbonitrile
PubChem CID10014474
Molecular FormulaC11H9N7
Molecular Weight239.24 g/mol
Exact Mass239.09
IUPAC Name3-amino-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2,6-dicarbonitrile
SMILESCc1cc(C)n(-c2nc(N)c(C#N)nc2C#N)n1
InChIInChI=1S/C11H9N7/c1-6-3-7(2)18(17-6)11-9(5-13)15-8(4-12)10(14)16-11/h3H,1-2H3,(H2,14,16)
InChIKeyLDFATDJGVGLISE-UHFFFAOYSA-N
XLogP0.60
TPSA117.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2,6-dicarbonitrile?
The IUPAC name of 3-amino-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2,6-dicarbonitrile (CID 10014474) is 3-amino-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2,6-dicarbonitrile.
What is the SMILES notation for 3-amino-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2,6-dicarbonitrile?
The canonical SMILES for 3-amino-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2,6-dicarbonitrile is Cc1cc(C)n(-c2nc(N)c(C#N)nc2C#N)n1.
What is the InChIKey of 3-amino-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2,6-dicarbonitrile?
The InChIKey is LDFATDJGVGLISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N7/c1-6-3-7(2)18(17-6)11-9(5-13)15-8(4-12)10(14)16-11/h3H,1-2H3,(H2,14,16).
What are the key properties of 3-amino-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2,6-dicarbonitrile?
3-amino-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2,6-dicarbonitrile has a molecular weight of 239.24 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2,6-dicarbonitrile is sourced from PubChem (CID 10014474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).