2-(diethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carbonitrile

C10H14N6O — CID 609674

IUPAC2-(diethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carbonitrile
SMILESCCN(CC)c1nc2n(c(=O)n1)CCN2C#N
InChIInChI=1S/C10H14N6O/c1-3-14(4-2)8-12-9-15(7-11)5-6-16(9)10(17)13-8/h3-6H2,1-2H3
InChIKeyZAYRIYXVYKSJJG-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.21
Rot. Bonds3

About 2-(diethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carbonitrile

2-(diethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carbonitrile (PubChem CID 609674) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(diethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carbonitrile.

Molecular Properties

Compound Name2-(diethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carbonitrile
PubChem CID609674
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name2-(diethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carbonitrile
SMILESCCN(CC)c1nc2n(c(=O)n1)CCN2C#N
InChIInChI=1S/C10H14N6O/c1-3-14(4-2)8-12-9-15(7-11)5-6-16(9)10(17)13-8/h3-6H2,1-2H3
InChIKeyZAYRIYXVYKSJJG-UHFFFAOYSA-N
XLogP-0.21
TPSA78.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carbonitrile?
The IUPAC name of 2-(diethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carbonitrile (CID 609674) is 2-(diethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carbonitrile.
What is the SMILES notation for 2-(diethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carbonitrile?
The canonical SMILES for 2-(diethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carbonitrile is CCN(CC)c1nc2n(c(=O)n1)CCN2C#N.
What is the InChIKey of 2-(diethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carbonitrile?
The InChIKey is ZAYRIYXVYKSJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-3-14(4-2)8-12-9-15(7-11)5-6-16(9)10(17)13-8/h3-6H2,1-2H3.
What are the key properties of 2-(diethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carbonitrile?
2-(diethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of -0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carbonitrile is sourced from PubChem (CID 609674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).