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

C2H2N3Na — CID 4649906

IUPACsodium 2,4-diaza-1-azanidacyclopenta-2,4-diene
SMILES[Na+].c1nc[n-]n1
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 2,4-diaza-1-azanidacyclopenta-2,4-diene

sodium 2,4-diaza-1-azanidacyclopenta-2,4-diene (PubChem CID 4649906) has the molecular formula C2H2N3Na and a molecular weight of 91.05 g/mol. Its IUPAC name is sodium 2,4-diaza-1-azanidacyclopenta-2,4-diene.

Molecular Properties

Compound Namesodium 2,4-diaza-1-azanidacyclopenta-2,4-diene
PubChem CID4649906
Molecular FormulaC2H2N3Na
Molecular Weight91.05 g/mol
Exact Mass91.01
IUPAC Namesodium 2,4-diaza-1-azanidacyclopenta-2,4-diene
SMILES[Na+].c1nc[n-]n1
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

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Frequently Asked Questions

What is the IUPAC name of sodium 2,4-diaza-1-azanidacyclopenta-2,4-diene?
The IUPAC name of sodium 2,4-diaza-1-azanidacyclopenta-2,4-diene (CID 4649906) is sodium 2,4-diaza-1-azanidacyclopenta-2,4-diene.
What is the SMILES notation for sodium 2,4-diaza-1-azanidacyclopenta-2,4-diene?
The canonical SMILES for sodium 2,4-diaza-1-azanidacyclopenta-2,4-diene is [Na+].c1nc[n-]n1.
What is the InChIKey of sodium 2,4-diaza-1-azanidacyclopenta-2,4-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 2,4-diaza-1-azanidacyclopenta-2,4-diene?
sodium 2,4-diaza-1-azanidacyclopenta-2,4-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 2,4-diaza-1-azanidacyclopenta-2,4-diene is sourced from PubChem (CID 4649906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).