5-(2-cyanoethyl)-6-(2-methylimidazol-1-yl)triazine-4-carbonitrile

C11H9N7 — CID 172737093

IUPAC5-(2-cyanoethyl)-6-(2-methylimidazol-1-yl)triazine-4-carbonitrile
SMILESCc1nccn1-c1nnnc(C#N)c1CCC#N
InChIInChI=1S/C11H9N7/c1-8-14-5-6-18(8)11-9(3-2-4-12)10(7-13)15-17-16-11/h5-6H,2-3H2,1H3
InChIKeyIOYKBNMGHDONGC-UHFFFAOYSA-N
MW239.24 g/mol
LogP0.69
Rot. Bonds3

About 5-(2-cyanoethyl)-6-(2-methylimidazol-1-yl)triazine-4-carbonitrile

5-(2-cyanoethyl)-6-(2-methylimidazol-1-yl)triazine-4-carbonitrile (PubChem CID 172737093) has the molecular formula C11H9N7 and a molecular weight of 239.24 g/mol. Its IUPAC name is 5-(2-cyanoethyl)-6-(2-methylimidazol-1-yl)triazine-4-carbonitrile.

Molecular Properties

Compound Name5-(2-cyanoethyl)-6-(2-methylimidazol-1-yl)triazine-4-carbonitrile
PubChem CID172737093
Molecular FormulaC11H9N7
Molecular Weight239.24 g/mol
Exact Mass239.09
IUPAC Name5-(2-cyanoethyl)-6-(2-methylimidazol-1-yl)triazine-4-carbonitrile
SMILESCc1nccn1-c1nnnc(C#N)c1CCC#N
InChIInChI=1S/C11H9N7/c1-8-14-5-6-18(8)11-9(3-2-4-12)10(7-13)15-17-16-11/h5-6H,2-3H2,1H3
InChIKeyIOYKBNMGHDONGC-UHFFFAOYSA-N
XLogP0.69
TPSA104.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyanoethyl)-6-(2-methylimidazol-1-yl)triazine-4-carbonitrile?
The IUPAC name of 5-(2-cyanoethyl)-6-(2-methylimidazol-1-yl)triazine-4-carbonitrile (CID 172737093) is 5-(2-cyanoethyl)-6-(2-methylimidazol-1-yl)triazine-4-carbonitrile.
What is the SMILES notation for 5-(2-cyanoethyl)-6-(2-methylimidazol-1-yl)triazine-4-carbonitrile?
The canonical SMILES for 5-(2-cyanoethyl)-6-(2-methylimidazol-1-yl)triazine-4-carbonitrile is Cc1nccn1-c1nnnc(C#N)c1CCC#N.
What is the InChIKey of 5-(2-cyanoethyl)-6-(2-methylimidazol-1-yl)triazine-4-carbonitrile?
The InChIKey is IOYKBNMGHDONGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N7/c1-8-14-5-6-18(8)11-9(3-2-4-12)10(7-13)15-17-16-11/h5-6H,2-3H2,1H3.
What are the key properties of 5-(2-cyanoethyl)-6-(2-methylimidazol-1-yl)triazine-4-carbonitrile?
5-(2-cyanoethyl)-6-(2-methylimidazol-1-yl)triazine-4-carbonitrile has a molecular weight of 239.24 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyanoethyl)-6-(2-methylimidazol-1-yl)triazine-4-carbonitrile is sourced from PubChem (CID 172737093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).