5-hydroxy-1-methylimidazole-4-carbonitrile

C5H5N3O — CID 69341767

IUPAC5-hydroxy-1-methylimidazole-4-carbonitrile
SMILESCn1cnc(C#N)c1O
InChIInChI=1S/C5H5N3O/c1-8-3-7-4(2-6)5(8)9/h3,9H,1H3
InChIKeyODODMGDDTCGOOU-UHFFFAOYSA-N
MW123.11 g/mol
LogP-0.00
Rot. Bonds

About 5-hydroxy-1-methylimidazole-4-carbonitrile

5-hydroxy-1-methylimidazole-4-carbonitrile (PubChem CID 69341767) has the molecular formula C5H5N3O and a molecular weight of 123.11 g/mol. Its IUPAC name is 5-hydroxy-1-methylimidazole-4-carbonitrile.

Molecular Properties

Compound Name5-hydroxy-1-methylimidazole-4-carbonitrile
PubChem CID69341767
Molecular FormulaC5H5N3O
Molecular Weight123.11 g/mol
Exact Mass123.04
IUPAC Name5-hydroxy-1-methylimidazole-4-carbonitrile
SMILESCn1cnc(C#N)c1O
InChIInChI=1S/C5H5N3O/c1-8-3-7-4(2-6)5(8)9/h3,9H,1H3
InChIKeyODODMGDDTCGOOU-UHFFFAOYSA-N
XLogP-0.00
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methylimidazole-4-carbonitrile?
The IUPAC name of 5-hydroxy-1-methylimidazole-4-carbonitrile (CID 69341767) is 5-hydroxy-1-methylimidazole-4-carbonitrile.
What is the SMILES notation for 5-hydroxy-1-methylimidazole-4-carbonitrile?
The canonical SMILES for 5-hydroxy-1-methylimidazole-4-carbonitrile is Cn1cnc(C#N)c1O.
What is the InChIKey of 5-hydroxy-1-methylimidazole-4-carbonitrile?
The InChIKey is ODODMGDDTCGOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O/c1-8-3-7-4(2-6)5(8)9/h3,9H,1H3.
What are the key properties of 5-hydroxy-1-methylimidazole-4-carbonitrile?
5-hydroxy-1-methylimidazole-4-carbonitrile has a molecular weight of 123.11 g/mol, XLogP of -0.00, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methylimidazole-4-carbonitrile is sourced from PubChem (CID 69341767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).