1-(5-aminoisoquinolin-6-yl)imidazole-4,5-dicarbonitrile

C14H8N6 — CID 106948556

IUPAC1-(5-aminoisoquinolin-6-yl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(-c2ccc3cnccc3c2N)c1C#N
InChIInChI=1S/C14H8N6/c15-5-11-13(6-16)20(8-19-11)12-2-1-9-7-18-4-3-10(9)14(12)17/h1-4,7-8H,17H2
InChIKeyNOHASKGOCSQUET-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.75
Rot. Bonds1

About 1-(5-aminoisoquinolin-6-yl)imidazole-4,5-dicarbonitrile

1-(5-aminoisoquinolin-6-yl)imidazole-4,5-dicarbonitrile (PubChem CID 106948556) has the molecular formula C14H8N6 and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-(5-aminoisoquinolin-6-yl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(5-aminoisoquinolin-6-yl)imidazole-4,5-dicarbonitrile
PubChem CID106948556
Molecular FormulaC14H8N6
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name1-(5-aminoisoquinolin-6-yl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(-c2ccc3cnccc3c2N)c1C#N
InChIInChI=1S/C14H8N6/c15-5-11-13(6-16)20(8-19-11)12-2-1-9-7-18-4-3-10(9)14(12)17/h1-4,7-8H,17H2
InChIKeyNOHASKGOCSQUET-UHFFFAOYSA-N
XLogP1.75
TPSA104.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-pyridinyl)imidazole-4,5-dicarbonitrile
CID 112595880
6-(3,5-dimethyl-1,2,4-triazol-1-yl)isoquinolin-5-amine
CID 106948534
1-(3-amino-4-cyano-2-pyridinyl)imidazole-4,5-dicarbonitrile
CID 112594841
2-amino-3-(4,5-dicyanoimidazol-1-yl)benzoic acid
CID 112595307
6-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine
CID 106948537
1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile
CID 112595092
1-(5-aminopyrimidin-4-yl)imidazole-4,5-dicarbonitrile
CID 112594849
5-amino-2-(4,5-dicyanoimidazol-1-yl)-N-methylbenzenesulfonamide
CID 103287638
1-cinnolin-4-ylimidazole-4,5-dicarbonitrile
CID 112595843
1-[4-(aminomethyl)-2-methylphenyl]imidazole-4,5-dicarbonitrile
CID 112595275
1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile
CID 114202972
1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile
CID 146004115

Frequently Asked Questions

What is the IUPAC name of 1-(5-aminoisoquinolin-6-yl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(5-aminoisoquinolin-6-yl)imidazole-4,5-dicarbonitrile (CID 106948556) is 1-(5-aminoisoquinolin-6-yl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(5-aminoisoquinolin-6-yl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(5-aminoisoquinolin-6-yl)imidazole-4,5-dicarbonitrile is N#Cc1ncn(-c2ccc3cnccc3c2N)c1C#N.
What is the InChIKey of 1-(5-aminoisoquinolin-6-yl)imidazole-4,5-dicarbonitrile?
The InChIKey is NOHASKGOCSQUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N6/c15-5-11-13(6-16)20(8-19-11)12-2-1-9-7-18-4-3-10(9)14(12)17/h1-4,7-8H,17H2.
What are the key properties of 1-(5-aminoisoquinolin-6-yl)imidazole-4,5-dicarbonitrile?
1-(5-aminoisoquinolin-6-yl)imidazole-4,5-dicarbonitrile has a molecular weight of 260.26 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminoisoquinolin-6-yl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 106948556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).