1-(3-amino-4-cyano-2-pyridinyl)imidazole-4,5-dicarbonitrile

C11H5N7 — CID 112594841

IUPAC1-(3-amino-4-cyano-2-pyridinyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ccnc(-n2cnc(C#N)c2C#N)c1N
InChIInChI=1S/C11H5N7/c12-3-7-1-2-16-11(10(7)15)18-6-17-8(4-13)9(18)5-14/h1-2,6H,15H2
InChIKeyPDWAMGHTKSBMON-UHFFFAOYSA-N
MW235.21 g/mol
LogP0.46
Rot. Bonds1

About 1-(3-amino-4-cyano-2-pyridinyl)imidazole-4,5-dicarbonitrile

1-(3-amino-4-cyano-2-pyridinyl)imidazole-4,5-dicarbonitrile (PubChem CID 112594841) has the molecular formula C11H5N7 and a molecular weight of 235.21 g/mol. Its IUPAC name is 1-(3-amino-4-cyano-2-pyridinyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(3-amino-4-cyano-2-pyridinyl)imidazole-4,5-dicarbonitrile
PubChem CID112594841
Molecular FormulaC11H5N7
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name1-(3-amino-4-cyano-2-pyridinyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ccnc(-n2cnc(C#N)c2C#N)c1N
InChIInChI=1S/C11H5N7/c12-3-7-1-2-16-11(10(7)15)18-6-17-8(4-13)9(18)5-14/h1-2,6H,15H2
InChIKeyPDWAMGHTKSBMON-UHFFFAOYSA-N
XLogP0.46
TPSA128.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-amino-6-chloropyrimidin-4-yl)imidazole-4,5-dicarbonitrile
CID 112594850
1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile
CID 112595092
1-(5-aminopyrimidin-4-yl)imidazole-4,5-dicarbonitrile
CID 112594849
1-(5-aminoisoquinolin-6-yl)imidazole-4,5-dicarbonitrile
CID 106948556
1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile
CID 104733751
2-amino-3-(4,5-dicyanoimidazol-1-yl)benzoic acid
CID 112595307
1-(3,6-dimethylpyrazin-2-yl)imidazole-4,5-dicarbonitrile
CID 112595850
1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile
CID 104733750
1-[2-cyano-4-(trifluoromethyl)phenyl]imidazole-4,5-dicarbonitrile
CID 115944700
1-thieno[2,3-d]pyrimidin-4-ylimidazole-4,5-dicarbonitrile
CID 112595760
1-[4-[(1R)-1-aminoethyl]phenyl]imidazole-4,5-dicarbonitrile
CID 113355659
1-(3-chloro-4-pyridinyl)imidazole-4,5-dicarbonitrile
CID 112595880

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-cyano-2-pyridinyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(3-amino-4-cyano-2-pyridinyl)imidazole-4,5-dicarbonitrile (CID 112594841) is 1-(3-amino-4-cyano-2-pyridinyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(3-amino-4-cyano-2-pyridinyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(3-amino-4-cyano-2-pyridinyl)imidazole-4,5-dicarbonitrile is N#Cc1ccnc(-n2cnc(C#N)c2C#N)c1N.
What is the InChIKey of 1-(3-amino-4-cyano-2-pyridinyl)imidazole-4,5-dicarbonitrile?
The InChIKey is PDWAMGHTKSBMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5N7/c12-3-7-1-2-16-11(10(7)15)18-6-17-8(4-13)9(18)5-14/h1-2,6H,15H2.
What are the key properties of 1-(3-amino-4-cyano-2-pyridinyl)imidazole-4,5-dicarbonitrile?
1-(3-amino-4-cyano-2-pyridinyl)imidazole-4,5-dicarbonitrile has a molecular weight of 235.21 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-cyano-2-pyridinyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112594841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).