sodium 1,3,5-triazin-2-olate

C3H2N3NaO — CID 23668500

IUPACsodium 1,3,5-triazin-2-olate
SMILES[Na+].[O-]c1ncncn1
InChIInChI=1S/C3H3N3O.Na/c7-3-5-1-4-2-6-3;/h1-2H,(H,4,5,6,7);/q;+1/p-1
InChIKeyWKUHCTNLGIFTDZ-UHFFFAOYSA-M
MW119.06 g/mol
LogP-4.05
Rot. Bonds

About sodium 1,3,5-triazin-2-olate

sodium 1,3,5-triazin-2-olate (PubChem CID 23668500) has the molecular formula C3H2N3NaO and a molecular weight of 119.06 g/mol. Its IUPAC name is sodium 1,3,5-triazin-2-olate.

Molecular Properties

Compound Namesodium 1,3,5-triazin-2-olate
PubChem CID23668500
Molecular FormulaC3H2N3NaO
Molecular Weight119.06 g/mol
Exact Mass119.01
IUPAC Namesodium 1,3,5-triazin-2-olate
SMILES[Na+].[O-]c1ncncn1
InChIInChI=1S/C3H3N3O.Na/c7-3-5-1-4-2-6-3;/h1-2H,(H,4,5,6,7);/q;+1/p-1
InChIKeyWKUHCTNLGIFTDZ-UHFFFAOYSA-M
XLogP-4.05
TPSA61.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.06
LogP ≤ 5-4.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 1,3,5-triazin-2-olate?
The IUPAC name of sodium 1,3,5-triazin-2-olate (CID 23668500) is sodium 1,3,5-triazin-2-olate.
What is the SMILES notation for sodium 1,3,5-triazin-2-olate?
The canonical SMILES for sodium 1,3,5-triazin-2-olate is [Na+].[O-]c1ncncn1.
What is the InChIKey of sodium 1,3,5-triazin-2-olate?
The InChIKey is WKUHCTNLGIFTDZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H3N3O.Na/c7-3-5-1-4-2-6-3;/h1-2H,(H,4,5,6,7);/q;+1/p-1.
What are the key properties of sodium 1,3,5-triazin-2-olate?
sodium 1,3,5-triazin-2-olate has a molecular weight of 119.06 g/mol, XLogP of -4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,3,5-triazin-2-olate is sourced from PubChem (CID 23668500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).