5-amino-1-(2-hydroxy-2-methylpropyl)imidazole-4-carbonitrile

C8H12N4O — CID 130019406

IUPAC5-amino-1-(2-hydroxy-2-methylpropyl)imidazole-4-carbonitrile
SMILESCC(C)(O)Cn1cnc(C#N)c1N
InChIInChI=1S/C8H12N4O/c1-8(2,13)4-12-5-11-6(3-9)7(12)10/h5,13H,4,10H2,1-2H3
InChIKeyZFQHMYCKTKFRQK-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.11
Rot. Bonds2

About 5-amino-1-(2-hydroxy-2-methylpropyl)imidazole-4-carbonitrile

5-amino-1-(2-hydroxy-2-methylpropyl)imidazole-4-carbonitrile (PubChem CID 130019406) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-amino-1-(2-hydroxy-2-methylpropyl)imidazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(2-hydroxy-2-methylpropyl)imidazole-4-carbonitrile
PubChem CID130019406
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name5-amino-1-(2-hydroxy-2-methylpropyl)imidazole-4-carbonitrile
SMILESCC(C)(O)Cn1cnc(C#N)c1N
InChIInChI=1S/C8H12N4O/c1-8(2,13)4-12-5-11-6(3-9)7(12)10/h5,13H,4,10H2,1-2H3
InChIKeyZFQHMYCKTKFRQK-UHFFFAOYSA-N
XLogP0.11
TPSA87.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-[(4-fluorophenyl)methyl]imidazole-4-carbonitrile
CID 14953228
5-amino-1-[(2,6-difluorophenyl)methyl]imidazole-4-carbonitrile
CID 68895462
1-(2-aminoimidazol-1-yl)-2-methylpropan-2-ol
CID 165463249
5-amino-1-(4-methylphenyl)imidazole-4-carbonitrile
CID 14959004
1-(5-amino-5-cyanohexyl)imidazole-4,5-dicarbonitrile
CID 112595359
1-(2-aminopropyl)imidazole-4,5-dicarbonitrile
CID 102689223
1-(2-hydroxypropyl)imidazole-4,5-dicarbonitrile
CID 112595298
5-(ethylamino)-1-methylimidazole-4-carbonitrile
CID 10606909
1-[2-ethyl-2-(sulfanylmethyl)butyl]imidazole-4,5-dicarbonitrile
CID 112595919
1-(methoxymethyl)imidazole-4,5-dicarbonitrile
CID 15054275
5-amino-1-tert-butylpyrazole-3,4-dicarbonitrile
CID 15389840
2-methyl-1-(2-methylimidazol-1-yl)propan-2-ol
CID 19434665

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-hydroxy-2-methylpropyl)imidazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(2-hydroxy-2-methylpropyl)imidazole-4-carbonitrile (CID 130019406) is 5-amino-1-(2-hydroxy-2-methylpropyl)imidazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(2-hydroxy-2-methylpropyl)imidazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(2-hydroxy-2-methylpropyl)imidazole-4-carbonitrile is CC(C)(O)Cn1cnc(C#N)c1N.
What is the InChIKey of 5-amino-1-(2-hydroxy-2-methylpropyl)imidazole-4-carbonitrile?
The InChIKey is ZFQHMYCKTKFRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-8(2,13)4-12-5-11-6(3-9)7(12)10/h5,13H,4,10H2,1-2H3.
What are the key properties of 5-amino-1-(2-hydroxy-2-methylpropyl)imidazole-4-carbonitrile?
5-amino-1-(2-hydroxy-2-methylpropyl)imidazole-4-carbonitrile has a molecular weight of 180.21 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-hydroxy-2-methylpropyl)imidazole-4-carbonitrile is sourced from PubChem (CID 130019406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).