sodium 1,2-diaza-4-azanidacyclopenta-2,5-diene

C2H2N3Na — CID 13391221

IUPACsodium 1,2-diaza-4-azanidacyclopenta-2,5-diene
SMILES[Na+].c1nnc[n-]1
InChIInChI=1S/C2H2N3.Na/c1-3-2-5-4-1;/h1-2H;/q-1;+1
InChIKeyNVMNEWNGLGACBB-UHFFFAOYSA-N
MW91.05 g/mol
LogP-3.56
Rot. Bonds

About sodium 1,2-diaza-4-azanidacyclopenta-2,5-diene

sodium 1,2-diaza-4-azanidacyclopenta-2,5-diene (PubChem CID 13391221) has the molecular formula C2H2N3Na and a molecular weight of 91.05 g/mol. Its IUPAC name is sodium 1,2-diaza-4-azanidacyclopenta-2,5-diene.

Molecular Properties

Compound Namesodium 1,2-diaza-4-azanidacyclopenta-2,5-diene
PubChem CID13391221
Molecular FormulaC2H2N3Na
Molecular Weight91.05 g/mol
Exact Mass91.01
IUPAC Namesodium 1,2-diaza-4-azanidacyclopenta-2,5-diene
SMILES[Na+].c1nnc[n-]1
InChIInChI=1S/C2H2N3.Na/c1-3-2-5-4-1;/h1-2H;/q-1;+1
InChIKeyNVMNEWNGLGACBB-UHFFFAOYSA-N
XLogP-3.56
TPSA39.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.05
LogP ≤ 5-3.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze sodium 1,2-diaza-4-azanidacyclopenta-2,5-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium 1,2-diaza-4-azanidacyclopenta-2,5-diene?
The IUPAC name of sodium 1,2-diaza-4-azanidacyclopenta-2,5-diene (CID 13391221) is sodium 1,2-diaza-4-azanidacyclopenta-2,5-diene.
What is the SMILES notation for sodium 1,2-diaza-4-azanidacyclopenta-2,5-diene?
The canonical SMILES for sodium 1,2-diaza-4-azanidacyclopenta-2,5-diene is [Na+].c1nnc[n-]1.
What is the InChIKey of sodium 1,2-diaza-4-azanidacyclopenta-2,5-diene?
The InChIKey is NVMNEWNGLGACBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N3.Na/c1-3-2-5-4-1;/h1-2H;/q-1;+1.
What are the key properties of sodium 1,2-diaza-4-azanidacyclopenta-2,5-diene?
sodium 1,2-diaza-4-azanidacyclopenta-2,5-diene has a molecular weight of 91.05 g/mol, XLogP of -3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,2-diaza-4-azanidacyclopenta-2,5-diene is sourced from PubChem (CID 13391221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).