1,3,5-triazin-2-yl cyanate

C4H2N4O — CID 54403286

IUPAC1,3,5-triazin-2-yl cyanate
SMILESN#COc1ncncn1
InChIInChI=1S/C4H2N4O/c5-1-9-4-7-2-6-3-8-4/h2-3H
InChIKeyVOYGTCXODKDWPS-UHFFFAOYSA-N
MW122.09 g/mol
LogP-0.27
Rot. Bonds1

About 1,3,5-triazin-2-yl cyanate

1,3,5-triazin-2-yl cyanate (PubChem CID 54403286) has the molecular formula C4H2N4O and a molecular weight of 122.09 g/mol. Its IUPAC name is 1,3,5-triazin-2-yl cyanate.

Molecular Properties

Compound Name1,3,5-triazin-2-yl cyanate
PubChem CID54403286
Molecular FormulaC4H2N4O
Molecular Weight122.09 g/mol
Exact Mass122.02
IUPAC Name1,3,5-triazin-2-yl cyanate
SMILESN#COc1ncncn1
InChIInChI=1S/C4H2N4O/c5-1-9-4-7-2-6-3-8-4/h2-3H
InChIKeyVOYGTCXODKDWPS-UHFFFAOYSA-N
XLogP-0.27
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.09
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-1,3,5-triazin-2-amine
CID 14288
2,4-Dimethoxy-1,3,5-triazine
CID 243963
2-Methoxy-1,3,5-triazine
CID 28657
2-Trifluoro-methoxy-1,3,5-triazine
CID 21749684
2-Methoxy-4-dimethylamino-1,3,5-triazine
CID 20209895
Cyanoamino-sym-triazine
CID 21941825
O-(1,3,5-triazin-2-yl)hydroxylamine
CID 68537593
2-(Fluoromethoxy)-1,3,5-triazine
CID 19104354
1,3,5-Triazin-2-yl hypofluorite
CID 56974357
2-(Trichloromethoxy)-1,3,5-triazine
CID 19006217
[4-(Cyanoamino)-1,3,5-triazin-2-yl]cyanamide
CID 19387435
2-Isocyanato-1,3,5-triazine
CID 19694713

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazin-2-yl cyanate?
The IUPAC name of 1,3,5-triazin-2-yl cyanate (CID 54403286) is 1,3,5-triazin-2-yl cyanate.
What is the SMILES notation for 1,3,5-triazin-2-yl cyanate?
The canonical SMILES for 1,3,5-triazin-2-yl cyanate is N#COc1ncncn1.
What is the InChIKey of 1,3,5-triazin-2-yl cyanate?
The InChIKey is VOYGTCXODKDWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N4O/c5-1-9-4-7-2-6-3-8-4/h2-3H.
What are the key properties of 1,3,5-triazin-2-yl cyanate?
1,3,5-triazin-2-yl cyanate has a molecular weight of 122.09 g/mol, XLogP of -0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazin-2-yl cyanate is sourced from PubChem (CID 54403286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).