5-amino-3-(dimethylamino)-1-pyrazin-2-ylpyrazole-4-carbonitrile

C10H11N7 — CID 102809211

IUPAC5-amino-3-(dimethylamino)-1-pyrazin-2-ylpyrazole-4-carbonitrile
SMILESCN(C)c1nn(-c2cnccn2)c(N)c1C#N
InChIInChI=1S/C10H11N7/c1-16(2)10-7(5-11)9(12)17(15-10)8-6-13-3-4-14-8/h3-4,6H,12H2,1-2H3
InChIKeyPWLKVBQTMKHCCT-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.18
Rot. Bonds2

About 5-amino-3-(dimethylamino)-1-pyrazin-2-ylpyrazole-4-carbonitrile

5-amino-3-(dimethylamino)-1-pyrazin-2-ylpyrazole-4-carbonitrile (PubChem CID 102809211) has the molecular formula C10H11N7 and a molecular weight of 229.25 g/mol. Its IUPAC name is 5-amino-3-(dimethylamino)-1-pyrazin-2-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(dimethylamino)-1-pyrazin-2-ylpyrazole-4-carbonitrile
PubChem CID102809211
Molecular FormulaC10H11N7
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name5-amino-3-(dimethylamino)-1-pyrazin-2-ylpyrazole-4-carbonitrile
SMILESCN(C)c1nn(-c2cnccn2)c(N)c1C#N
InChIInChI=1S/C10H11N7/c1-16(2)10-7(5-11)9(12)17(15-10)8-6-13-3-4-14-8/h3-4,6H,12H2,1-2H3
InChIKeyPWLKVBQTMKHCCT-UHFFFAOYSA-N
XLogP0.18
TPSA96.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(dimethylamino)-1-pyrazin-2-ylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(dimethylamino)-1-pyrazin-2-ylpyrazole-4-carbonitrile (CID 102809211) is 5-amino-3-(dimethylamino)-1-pyrazin-2-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(dimethylamino)-1-pyrazin-2-ylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(dimethylamino)-1-pyrazin-2-ylpyrazole-4-carbonitrile is CN(C)c1nn(-c2cnccn2)c(N)c1C#N.
What is the InChIKey of 5-amino-3-(dimethylamino)-1-pyrazin-2-ylpyrazole-4-carbonitrile?
The InChIKey is PWLKVBQTMKHCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7/c1-16(2)10-7(5-11)9(12)17(15-10)8-6-13-3-4-14-8/h3-4,6H,12H2,1-2H3.
What are the key properties of 5-amino-3-(dimethylamino)-1-pyrazin-2-ylpyrazole-4-carbonitrile?
5-amino-3-(dimethylamino)-1-pyrazin-2-ylpyrazole-4-carbonitrile has a molecular weight of 229.25 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(dimethylamino)-1-pyrazin-2-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 102809211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).