5-amino-3-(2-methoxyethoxymethyl)imidazole-4-carbonitrile

C8H12N4O2 — CID 165350777

IUPAC5-amino-3-(2-methoxyethoxymethyl)imidazole-4-carbonitrile
SMILESCOCCOCn1cnc(N)c1C#N
InChIInChI=1S/C8H12N4O2/c1-13-2-3-14-6-12-5-11-8(10)7(12)4-9/h5H,2-3,6,10H2,1H3
InChIKeyFLQAAONEFOUATH-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.04
Rot. Bonds5

About 5-amino-3-(2-methoxyethoxymethyl)imidazole-4-carbonitrile

5-amino-3-(2-methoxyethoxymethyl)imidazole-4-carbonitrile (PubChem CID 165350777) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-amino-3-(2-methoxyethoxymethyl)imidazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(2-methoxyethoxymethyl)imidazole-4-carbonitrile
PubChem CID165350777
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name5-amino-3-(2-methoxyethoxymethyl)imidazole-4-carbonitrile
SMILESCOCCOCn1cnc(N)c1C#N
InChIInChI=1S/C8H12N4O2/c1-13-2-3-14-6-12-5-11-8(10)7(12)4-9/h5H,2-3,6,10H2,1H3
InChIKeyFLQAAONEFOUATH-UHFFFAOYSA-N
XLogP-0.04
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-methoxyethoxymethyl)imidazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(2-methoxyethoxymethyl)imidazole-4-carbonitrile (CID 165350777) is 5-amino-3-(2-methoxyethoxymethyl)imidazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(2-methoxyethoxymethyl)imidazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(2-methoxyethoxymethyl)imidazole-4-carbonitrile is COCCOCn1cnc(N)c1C#N.
What is the InChIKey of 5-amino-3-(2-methoxyethoxymethyl)imidazole-4-carbonitrile?
The InChIKey is FLQAAONEFOUATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-13-2-3-14-6-12-5-11-8(10)7(12)4-9/h5H,2-3,6,10H2,1H3.
What are the key properties of 5-amino-3-(2-methoxyethoxymethyl)imidazole-4-carbonitrile?
5-amino-3-(2-methoxyethoxymethyl)imidazole-4-carbonitrile has a molecular weight of 196.21 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-methoxyethoxymethyl)imidazole-4-carbonitrile is sourced from PubChem (CID 165350777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).