azane;1H-imidazole-4,5-dicarbonitrile

C5H5N5 — CID 175608883

IUPACazane;1H-imidazole-4,5-dicarbonitrile
SMILESN.N#Cc1nc[nH]c1C#N
InChIInChI=1S/C5H2N4.H3N/c6-1-4-5(2-7)9-3-8-4;/h3H,(H,8,9);1H3
InChIKeyDGVNGGNJYLJGAJ-UHFFFAOYSA-N
MW135.13 g/mol
LogP0.32
Rot. Bonds

About azane;1H-imidazole-4,5-dicarbonitrile

azane;1H-imidazole-4,5-dicarbonitrile (PubChem CID 175608883) has the molecular formula C5H5N5 and a molecular weight of 135.13 g/mol. Its IUPAC name is azane;1H-imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Nameazane;1H-imidazole-4,5-dicarbonitrile
PubChem CID175608883
Molecular FormulaC5H5N5
Molecular Weight135.13 g/mol
Exact Mass135.05
IUPAC Nameazane;1H-imidazole-4,5-dicarbonitrile
SMILESN.N#Cc1nc[nH]c1C#N
InChIInChI=1S/C5H2N4.H3N/c6-1-4-5(2-7)9-3-8-4;/h3H,(H,8,9);1H3
InChIKeyDGVNGGNJYLJGAJ-UHFFFAOYSA-N
XLogP0.32
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;1H-imidazole-4,5-dicarbonitrile?
The IUPAC name of azane;1H-imidazole-4,5-dicarbonitrile (CID 175608883) is azane;1H-imidazole-4,5-dicarbonitrile.
What is the SMILES notation for azane;1H-imidazole-4,5-dicarbonitrile?
The canonical SMILES for azane;1H-imidazole-4,5-dicarbonitrile is N.N#Cc1nc[nH]c1C#N.
What is the InChIKey of azane;1H-imidazole-4,5-dicarbonitrile?
The InChIKey is DGVNGGNJYLJGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2N4.H3N/c6-1-4-5(2-7)9-3-8-4;/h3H,(H,8,9);1H3.
What are the key properties of azane;1H-imidazole-4,5-dicarbonitrile?
azane;1H-imidazole-4,5-dicarbonitrile has a molecular weight of 135.13 g/mol, XLogP of 0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1H-imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 175608883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).