1-(2-aminopropyl)imidazole-4,5-dicarbonitrile

C8H9N5 — CID 102689223

IUPAC1-(2-aminopropyl)imidazole-4,5-dicarbonitrile
SMILESCC(N)Cn1cnc(C#N)c1C#N
InChIInChI=1S/C8H9N5/c1-6(11)4-13-5-12-7(2-9)8(13)3-10/h5-6H,4,11H2,1H3
InChIKeySQCSLUVXTIMRMK-UHFFFAOYSA-N
MW175.19 g/mol
LogP-0.03
Rot. Bonds2

About 1-(2-aminopropyl)imidazole-4,5-dicarbonitrile

1-(2-aminopropyl)imidazole-4,5-dicarbonitrile (PubChem CID 102689223) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-(2-aminopropyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(2-aminopropyl)imidazole-4,5-dicarbonitrile
PubChem CID102689223
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name1-(2-aminopropyl)imidazole-4,5-dicarbonitrile
SMILESCC(N)Cn1cnc(C#N)c1C#N
InChIInChI=1S/C8H9N5/c1-6(11)4-13-5-12-7(2-9)8(13)3-10/h5-6H,4,11H2,1H3
InChIKeySQCSLUVXTIMRMK-UHFFFAOYSA-N
XLogP-0.03
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxypropyl)imidazole-4,5-dicarbonitrile
CID 112595298
1-[(2S)-3-amino-2-hydroxypropyl]imidazole-4,5-dicarbonitrile
CID 130492578
1-(3-amino-2-hydroxypropyl)imidazole-4,5-dicarbonitrile
CID 112595077
1-(2-hydroxy-3-propan-2-yloxypropyl)imidazole-4,5-dicarbonitrile
CID 112568361
1-(methoxymethyl)imidazole-4,5-dicarbonitrile
CID 15054275
1-(2-chloroethyl)imidazole-4,5-dicarbonitrile
CID 112595041
1-(3-propan-2-yloxypropyl)imidazole-4,5-dicarbonitrile
CID 75508781
1-prop-2-ynylimidazole-4,5-dicarbonitrile
CID 112595691
1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]imidazole-4,5-dicarbonitrile
CID 112595676
1-[2-hydroxy-3-(propylamino)propyl]imidazole-4,5-dicarbonitrile
CID 112595078
1-[2-(dimethylamino)ethyl]imidazole-4,5-dicarbonitrile
CID 112595521
1-(2-phenyl-3-sulfanylpropyl)imidazole-4,5-dicarbonitrile
CID 112595930

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(2-aminopropyl)imidazole-4,5-dicarbonitrile (CID 102689223) is 1-(2-aminopropyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(2-aminopropyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(2-aminopropyl)imidazole-4,5-dicarbonitrile is CC(N)Cn1cnc(C#N)c1C#N.
What is the InChIKey of 1-(2-aminopropyl)imidazole-4,5-dicarbonitrile?
The InChIKey is SQCSLUVXTIMRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-6(11)4-13-5-12-7(2-9)8(13)3-10/h5-6H,4,11H2,1H3.
What are the key properties of 1-(2-aminopropyl)imidazole-4,5-dicarbonitrile?
1-(2-aminopropyl)imidazole-4,5-dicarbonitrile has a molecular weight of 175.19 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 102689223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).