2-(dimethylamino)-1-methylimidazole-4,5-dicarbonitrile

C8H9N5 — CID 102170058

IUPAC2-(dimethylamino)-1-methylimidazole-4,5-dicarbonitrile
SMILESCN(C)c1nc(C#N)c(C#N)n1C
InChIInChI=1S/C8H9N5/c1-12(2)8-11-6(4-9)7(5-10)13(8)3/h1-3H3
InChIKeyTZDPZZWQNRVYJX-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.23
Rot. Bonds1

About 2-(dimethylamino)-1-methylimidazole-4,5-dicarbonitrile

2-(dimethylamino)-1-methylimidazole-4,5-dicarbonitrile (PubChem CID 102170058) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(dimethylamino)-1-methylimidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-1-methylimidazole-4,5-dicarbonitrile
PubChem CID102170058
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name2-(dimethylamino)-1-methylimidazole-4,5-dicarbonitrile
SMILESCN(C)c1nc(C#N)c(C#N)n1C
InChIInChI=1S/C8H9N5/c1-12(2)8-11-6(4-9)7(5-10)13(8)3/h1-3H3
InChIKeyTZDPZZWQNRVYJX-UHFFFAOYSA-N
XLogP0.23
TPSA68.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-methylimidazole-4,5-dicarbonitrile?
The IUPAC name of 2-(dimethylamino)-1-methylimidazole-4,5-dicarbonitrile (CID 102170058) is 2-(dimethylamino)-1-methylimidazole-4,5-dicarbonitrile.
What is the SMILES notation for 2-(dimethylamino)-1-methylimidazole-4,5-dicarbonitrile?
The canonical SMILES for 2-(dimethylamino)-1-methylimidazole-4,5-dicarbonitrile is CN(C)c1nc(C#N)c(C#N)n1C.
What is the InChIKey of 2-(dimethylamino)-1-methylimidazole-4,5-dicarbonitrile?
The InChIKey is TZDPZZWQNRVYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-12(2)8-11-6(4-9)7(5-10)13(8)3/h1-3H3.
What are the key properties of 2-(dimethylamino)-1-methylimidazole-4,5-dicarbonitrile?
2-(dimethylamino)-1-methylimidazole-4,5-dicarbonitrile has a molecular weight of 175.19 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-methylimidazole-4,5-dicarbonitrile is sourced from PubChem (CID 102170058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).