1-aminoimidazole-2,4-dicarbonitrile

C5H3N5 — CID 67745184

IUPAC1-aminoimidazole-2,4-dicarbonitrile
SMILESN#Cc1cn(N)c(C#N)n1
InChIInChI=1S/C5H3N5/c6-1-4-3-10(8)5(2-7)9-4/h3H,8H2
InChIKeyQZIHGORYMIIZHK-UHFFFAOYSA-N
MW133.11 g/mol
LogP-0.66
Rot. Bonds

About 1-aminoimidazole-2,4-dicarbonitrile

1-aminoimidazole-2,4-dicarbonitrile (PubChem CID 67745184) has the molecular formula C5H3N5 and a molecular weight of 133.11 g/mol. Its IUPAC name is 1-aminoimidazole-2,4-dicarbonitrile.

Molecular Properties

Compound Name1-aminoimidazole-2,4-dicarbonitrile
PubChem CID67745184
Molecular FormulaC5H3N5
Molecular Weight133.11 g/mol
Exact Mass133.04
IUPAC Name1-aminoimidazole-2,4-dicarbonitrile
SMILESN#Cc1cn(N)c(C#N)n1
InChIInChI=1S/C5H3N5/c6-1-4-3-10(8)5(2-7)9-4/h3H,8H2
InChIKeyQZIHGORYMIIZHK-UHFFFAOYSA-N
XLogP-0.66
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.11
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-amino-4-trifluoromethylimidazole
CID 129862271
2,4-Dicyanoimidazole
CID 53421655
Imidazol-3,4-dicarbonitrile
CID 66792956
1,2-dimethyl-1H-imidazole-5-carbonitrile
CID 3015048
2-(Trifluoromethyl)imidazole-1,5-dicarbonitrile
CID 129111784
5-Methyl-2-(trifluoromethyl)imidazol-1-amine
CID 155374182
Lithium;hydride;2-(trifluoromethyl)imidazole-1,4-dicarbonitrile
CID 174053443
N,N,2,5-tetramethylimidazol-1-amine
CID 12460725
3,4-Dicyano-2-azidoimidazole
CID 139214316
2-(Trifluoromethyl)imidazole-1,4-dicarbonitrile
CID 169741564
1,2-dimethyl-1H-imidazole-4-carbonitrile
CID 12747516
4-Methylimidazol-1-ium-1,3-diamine chloride
CID 17994053

Frequently Asked Questions

What is the IUPAC name of 1-aminoimidazole-2,4-dicarbonitrile?
The IUPAC name of 1-aminoimidazole-2,4-dicarbonitrile (CID 67745184) is 1-aminoimidazole-2,4-dicarbonitrile.
What is the SMILES notation for 1-aminoimidazole-2,4-dicarbonitrile?
The canonical SMILES for 1-aminoimidazole-2,4-dicarbonitrile is N#Cc1cn(N)c(C#N)n1.
What is the InChIKey of 1-aminoimidazole-2,4-dicarbonitrile?
The InChIKey is QZIHGORYMIIZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N5/c6-1-4-3-10(8)5(2-7)9-4/h3H,8H2.
What are the key properties of 1-aminoimidazole-2,4-dicarbonitrile?
1-aminoimidazole-2,4-dicarbonitrile has a molecular weight of 133.11 g/mol, XLogP of -0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoimidazole-2,4-dicarbonitrile is sourced from PubChem (CID 67745184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).