cyanic acid;phenol;triazine

C10H10N4O2 — CID 67860683

IUPACcyanic acid;phenol;triazine
SMILESN#CO.Oc1ccccc1.c1cnnnc1
InChIInChI=1S/C6H6O.C3H3N3.CHNO/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;2-1-3/h1-5,7H;1-3H;3H
InChIKeyKKPZQSMOQLYWOP-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.10
Rot. Bonds

About cyanic acid;phenol;triazine

cyanic acid;phenol;triazine (PubChem CID 67860683) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is cyanic acid;phenol;triazine.

Molecular Properties

Compound Namecyanic acid;phenol;triazine
PubChem CID67860683
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Namecyanic acid;phenol;triazine
SMILESN#CO.Oc1ccccc1.c1cnnnc1
InChIInChI=1S/C6H6O.C3H3N3.CHNO/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;2-1-3/h1-5,7H;1-3H;3H
InChIKeyKKPZQSMOQLYWOP-UHFFFAOYSA-N
XLogP1.10
TPSA102.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 cyanic acid;phenol;triazine?
The IUPAC name of cyanic acid;phenol;triazine (CID 67860683) is cyanic acid;phenol;triazine.
What is the SMILES notation for cyanic acid;phenol;triazine?
The canonical SMILES for cyanic acid;phenol;triazine is N#CO.Oc1ccccc1.c1cnnnc1.
What is the InChIKey of cyanic acid;phenol;triazine?
The InChIKey is KKPZQSMOQLYWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C3H3N3.CHNO/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;2-1-3/h1-5,7H;1-3H;3H.
What are the key properties of cyanic acid;phenol;triazine?
cyanic acid;phenol;triazine has a molecular weight of 218.22 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyanic acid;phenol;triazine is sourced from PubChem (CID 67860683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).