2-isocyano-4-methoxy-6-methyl-1,3,5-triazine

C6H6N4O — CID 20644261

IUPAC2-isocyano-4-methoxy-6-methyl-1,3,5-triazine
SMILES[C-]#[N+]c1nc(C)nc(OC)n1
InChIInChI=1S/C6H6N4O/c1-4-8-5(7-2)10-6(9-4)11-3/h1,3H3
InChIKeyCQLKRESSQPQZHM-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.74
Rot. Bonds1

About 2-isocyano-4-methoxy-6-methyl-1,3,5-triazine

2-isocyano-4-methoxy-6-methyl-1,3,5-triazine (PubChem CID 20644261) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 2-isocyano-4-methoxy-6-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2-isocyano-4-methoxy-6-methyl-1,3,5-triazine
PubChem CID20644261
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name2-isocyano-4-methoxy-6-methyl-1,3,5-triazine
SMILES[C-]#[N+]c1nc(C)nc(OC)n1
InChIInChI=1S/C6H6N4O/c1-4-8-5(7-2)10-6(9-4)11-3/h1,3H3
InChIKeyCQLKRESSQPQZHM-UHFFFAOYSA-N
XLogP0.74
TPSA52.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-isocyano-4-methoxy-6-methyl-1,3,5-triazine?
The IUPAC name of 2-isocyano-4-methoxy-6-methyl-1,3,5-triazine (CID 20644261) is 2-isocyano-4-methoxy-6-methyl-1,3,5-triazine.
What is the SMILES notation for 2-isocyano-4-methoxy-6-methyl-1,3,5-triazine?
The canonical SMILES for 2-isocyano-4-methoxy-6-methyl-1,3,5-triazine is [C-]#[N+]c1nc(C)nc(OC)n1.
What is the InChIKey of 2-isocyano-4-methoxy-6-methyl-1,3,5-triazine?
The InChIKey is CQLKRESSQPQZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-4-8-5(7-2)10-6(9-4)11-3/h1,3H3.
What are the key properties of 2-isocyano-4-methoxy-6-methyl-1,3,5-triazine?
2-isocyano-4-methoxy-6-methyl-1,3,5-triazine has a molecular weight of 150.14 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyano-4-methoxy-6-methyl-1,3,5-triazine is sourced from PubChem (CID 20644261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).