2-azidoimidazole-1,5-dicarbonitrile

C5HN7 — CID 139214316

IUPAC2-azidoimidazole-1,5-dicarbonitrile
SMILESN#Cc1cnc(N=[N+]=[N-])n1C#N
InChIInChI=1S/C5HN7/c6-1-4-2-9-5(10-11-8)12(4)3-7/h2H
InChIKeyYFDWRRGJTSQAMH-UHFFFAOYSA-N
MW159.11 g/mol
LogP1.03
Rot. Bonds1

About 2-azidoimidazole-1,5-dicarbonitrile

2-azidoimidazole-1,5-dicarbonitrile (PubChem CID 139214316) has the molecular formula C5HN7 and a molecular weight of 159.11 g/mol. Its IUPAC name is 2-azidoimidazole-1,5-dicarbonitrile.

Molecular Properties

Compound Name2-azidoimidazole-1,5-dicarbonitrile
PubChem CID139214316
Molecular FormulaC5HN7
Molecular Weight159.11 g/mol
Exact Mass159.03
IUPAC Name2-azidoimidazole-1,5-dicarbonitrile
SMILESN#Cc1cnc(N=[N+]=[N-])n1C#N
InChIInChI=1S/C5HN7/c6-1-4-2-9-5(10-11-8)12(4)3-7/h2H
InChIKeyYFDWRRGJTSQAMH-UHFFFAOYSA-N
XLogP1.03
TPSA114.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.11
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1,5-Dimethylimidazole
CID 139158
1,4-Dimethylimidazole
CID 138733
1H-imidazole-4-carbonitrile
CID 564457
1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-
CID 90327
1-Methyl-1H-imidazole-4-carbonitrile
CID 2795115
5-Ethynyl-1-methyl-1H-imidazole
CID 3333106
2-(1-methyl-1H-imidazol-4-yl)acetonitrile
CID 19417752
1-Methyl-1H-imidazole-5-carbonitrile
CID 2795425
2-Bromo-1,5-dimethyl-1H-imidazole
CID 7204876
2-Bromo-1,4-dimethyl-1H-imidazole
CID 7204877
2-chloro-1,5-dimethyl-1H-imidazole
CID 60069416
2-chloro-1-methyl-1H-imidazole-5-carbonitrile
CID 117272781

Frequently Asked Questions

What is the IUPAC name of 2-azidoimidazole-1,5-dicarbonitrile?
The IUPAC name of 2-azidoimidazole-1,5-dicarbonitrile (CID 139214316) is 2-azidoimidazole-1,5-dicarbonitrile.
What is the SMILES notation for 2-azidoimidazole-1,5-dicarbonitrile?
The canonical SMILES for 2-azidoimidazole-1,5-dicarbonitrile is N#Cc1cnc(N=[N+]=[N-])n1C#N.
What is the InChIKey of 2-azidoimidazole-1,5-dicarbonitrile?
The InChIKey is YFDWRRGJTSQAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HN7/c6-1-4-2-9-5(10-11-8)12(4)3-7/h2H.
What are the key properties of 2-azidoimidazole-1,5-dicarbonitrile?
2-azidoimidazole-1,5-dicarbonitrile has a molecular weight of 159.11 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azidoimidazole-1,5-dicarbonitrile is sourced from PubChem (CID 139214316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).