4,6-dimethoxy-1,3,5-triazine-2-carbonitrile

C6H6N4O2 — CID 2320268

IUPAC4,6-dimethoxy-1,3,5-triazine-2-carbonitrile
SMILESCOc1nc(C#N)nc(OC)n1
InChIInChI=1S/C6H6N4O2/c1-11-5-8-4(3-7)9-6(10-5)12-2/h1-2H3
InChIKeyVQETXCCOYWPLKV-UHFFFAOYSA-N
MW166.14 g/mol
LogP-0.24
Rot. Bonds2

About 4,6-dimethoxy-1,3,5-triazine-2-carbonitrile

4,6-dimethoxy-1,3,5-triazine-2-carbonitrile (PubChem CID 2320268) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 4,6-dimethoxy-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4,6-dimethoxy-1,3,5-triazine-2-carbonitrile
PubChem CID2320268
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name4,6-dimethoxy-1,3,5-triazine-2-carbonitrile
SMILESCOc1nc(C#N)nc(OC)n1
InChIInChI=1S/C6H6N4O2/c1-11-5-8-4(3-7)9-6(10-5)12-2/h1-2H3
InChIKeyVQETXCCOYWPLKV-UHFFFAOYSA-N
XLogP-0.24
TPSA80.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4,6-dimethoxy-1,3,5-triazine-2-carbonitrile (CID 2320268) is 4,6-dimethoxy-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4,6-dimethoxy-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4,6-dimethoxy-1,3,5-triazine-2-carbonitrile is COc1nc(C#N)nc(OC)n1.
What is the InChIKey of 4,6-dimethoxy-1,3,5-triazine-2-carbonitrile?
The InChIKey is VQETXCCOYWPLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c1-11-5-8-4(3-7)9-6(10-5)12-2/h1-2H3.
What are the key properties of 4,6-dimethoxy-1,3,5-triazine-2-carbonitrile?
4,6-dimethoxy-1,3,5-triazine-2-carbonitrile has a molecular weight of 166.14 g/mol, XLogP of -0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 2320268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).