CID 67430872

C3H3N3Na — CID 67430872

IUPAC—
SMILES[Na].c1cnnnc1
InChIInChI=1S/C3H3N3.Na/c1-2-4-6-5-3-1;/h1-3H;
InChIKeyJAQKNUMURQDRKV-UHFFFAOYSA-N
MW104.07 g/mol
LogP-0.51
Rot. Bonds

About CID 67430872

CID 67430872 (PubChem CID 67430872) has the molecular formula C3H3N3Na and a molecular weight of 104.07 g/mol.

Molecular Properties

Compound NameCID 67430872
PubChem CID67430872
Molecular FormulaC3H3N3Na
Molecular Weight104.07 g/mol
Exact Mass104.02
IUPAC Name—
SMILES[Na].c1cnnnc1
InChIInChI=1S/C3H3N3.Na/c1-2-4-6-5-3-1;/h1-3H;
InChIKeyJAQKNUMURQDRKV-UHFFFAOYSA-N
XLogP-0.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.07
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 67430872?
The IUPAC name of CID 67430872 (CID 67430872) is not available.
What is the SMILES notation for CID 67430872?
The canonical SMILES for CID 67430872 is [Na].c1cnnnc1.
What is the InChIKey of CID 67430872?
The InChIKey is JAQKNUMURQDRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.Na/c1-2-4-6-5-3-1;/h1-3H;.
What are the key properties of CID 67430872?
CID 67430872 has a molecular weight of 104.07 g/mol, XLogP of -0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67430872 is sourced from PubChem (CID 67430872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).