1,3,5-triazin-2-yloxymethanone;zinc

C4H2N3O2Zn- — CID 175444753

IUPAC1,3,5-triazin-2-yloxymethanone;zinc
SMILESO=[C-]Oc1ncncn1.[Zn]
InChIInChI=1S/C4H2N3O2.Zn/c8-3-9-4-6-1-5-2-7-4;/h1-2H;/q-1;
InChIKeyQGOZOIUKOLYOGF-UHFFFAOYSA-N
MW189.47 g/mol
LogP-0.68
Rot. Bonds2

About 1,3,5-triazin-2-yloxymethanone;zinc

1,3,5-triazin-2-yloxymethanone;zinc (PubChem CID 175444753) has the molecular formula C4H2N3O2Zn- and a molecular weight of 189.47 g/mol. Its IUPAC name is 1,3,5-triazin-2-yloxymethanone;zinc.

Molecular Properties

Compound Name1,3,5-triazin-2-yloxymethanone;zinc
PubChem CID175444753
Molecular FormulaC4H2N3O2Zn-
Molecular Weight189.47 g/mol
Exact Mass187.94
IUPAC Name1,3,5-triazin-2-yloxymethanone;zinc
SMILESO=[C-]Oc1ncncn1.[Zn]
InChIInChI=1S/C4H2N3O2.Zn/c8-3-9-4-6-1-5-2-7-4;/h1-2H;/q-1;
InChIKeyQGOZOIUKOLYOGF-UHFFFAOYSA-N
XLogP-0.68
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.47
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-Diisocyanato-1,3,5-triazine
CID 22062442
1,3,5-Triazin-2-yl carbamate
CID 53641296
1,3,5-Triazin-2-yl formate
CID 57049490
1,3,5-triazin-2-yl N,N-bis(sulfanyl)carbamate
CID 57061210
1,3,5-triazin-2-yloxymethanethioic S-acid
CID 88422442
Azane;1,3,5-triazin-2-yl carbamate
CID 141190717
Carbonic acid;1,3,5-triazine
CID 159955056
Copper;hydroxymethanone;1,3,5-triazin-2-yloxymethanone
CID 175067781

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazin-2-yloxymethanone;zinc?
The IUPAC name of 1,3,5-triazin-2-yloxymethanone;zinc (CID 175444753) is 1,3,5-triazin-2-yloxymethanone;zinc.
What is the SMILES notation for 1,3,5-triazin-2-yloxymethanone;zinc?
The canonical SMILES for 1,3,5-triazin-2-yloxymethanone;zinc is O=[C-]Oc1ncncn1.[Zn].
What is the InChIKey of 1,3,5-triazin-2-yloxymethanone;zinc?
The InChIKey is QGOZOIUKOLYOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N3O2.Zn/c8-3-9-4-6-1-5-2-7-4;/h1-2H;/q-1;.
What are the key properties of 1,3,5-triazin-2-yloxymethanone;zinc?
1,3,5-triazin-2-yloxymethanone;zinc has a molecular weight of 189.47 g/mol, XLogP of -0.68, 2 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-yloxymethanone;zinc is sourced from PubChem (CID 175444753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).